Benzene and substituted derivatives
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[4-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™
CAS: 103573-92-8 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271921 InChI Key: FSLVBXCLXDGFRE-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl PubChem CID: 15594569 IUPAC Name: [4-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CN2C=CN=C2)CO
| PubChem CID | 15594569 |
|---|---|
| CAS | 103573-92-8 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD08271921 |
| SMILES | C1=CC(=CC=C1CN2C=CN=C2)CO |
| Synonym | 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl |
| IUPAC Name | [4-(imidazol-1-ylmethyl)phenyl]methanol |
| InChI Key | FSLVBXCLXDGFRE-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O |
3-Isopropylbenzeneboronic acid, 99%
CAS: 216019-28-2 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD01074634 InChI Key: QSWLFBMVIGQONC-UHFFFAOYSA-N Synonym: 3-isopropylphenylboronic acid,3-isopropylbenzeneboronic acid,3-cumylboronic acid,3-isopropylphenyl boronic acid,3-isopropylphebylboronic acid,3-propan-2-yl phenyl boranediol,boronic acid, 3-1-methylethyl phenyl,boronic acid, b-3-propylphenyl,3-propan-2-yl phenyl boronic acid,3-propan-2-ylphenyl boronic acid PubChem CID: 2773478 IUPAC Name: (3-propan-2-ylphenyl)boronic acid SMILES: CC(C)C1=CC=CC(=C1)B(O)O
| PubChem CID | 2773478 |
|---|---|
| CAS | 216019-28-2 |
| Molecular Weight (g/mol) | 164.01 |
| MDL Number | MFCD01074634 |
| SMILES | CC(C)C1=CC=CC(=C1)B(O)O |
| Synonym | 3-isopropylphenylboronic acid,3-isopropylbenzeneboronic acid,3-cumylboronic acid,3-isopropylphenyl boronic acid,3-isopropylphebylboronic acid,3-propan-2-yl phenyl boranediol,boronic acid, 3-1-methylethyl phenyl,boronic acid, b-3-propylphenyl,3-propan-2-yl phenyl boronic acid,3-propan-2-ylphenyl boronic acid |
| IUPAC Name | (3-propan-2-ylphenyl)boronic acid |
| InChI Key | QSWLFBMVIGQONC-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO2 |
4-Amino-2-(trifluoromethyl)benzonitrile, 97%
CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD00042155 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N
| PubChem CID | 522170 |
|---|---|
| CAS | 654-70-6 |
| Molecular Weight (g/mol) | 186.137 |
| MDL Number | MFCD00042155 |
| SMILES | C1=CC(=C(C=C1N)C(F)(F)F)C#N |
| Synonym | 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile |
| IUPAC Name | 4-amino-2-(trifluoromethyl)benzonitrile |
| InChI Key | PMDYLCUKSLBUHO-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2 |
4-Methoxyphenylglyoxal hydrate, 95%, dry wt. basis
CAS: 16208-17-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00234534 InChI Key: NLUFPYPVEHQAQN-UHFFFAOYSA-N Synonym: 4-methoxyphenylglyoxal hydrate,2-4-methoxyphenyl-2-oxoacetaldehyde hydrate,pubchem12129,acmc-20ai17,4-methoxyphenyl glyoxal hydrate,p-methoxyphenylglyoxal monohydrate,2-4-methoxyphenyl-2-oxoethanal, hydrate,ethanone,2,2-dihydroxy-1-4-methoxyphenyl,4-methoxyphenyl oxo acetaldehyde-water 1/1,2-4-methoxyphenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 15556730 IUPAC Name: 2-(4-methoxyphenyl)-2-oxoacetaldehyde;hydrate SMILES: COC1=CC=C(C=C1)C(=O)C(O)O
| PubChem CID | 15556730 |
|---|---|
| CAS | 16208-17-6 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00234534 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(O)O |
| Synonym | 4-methoxyphenylglyoxal hydrate,2-4-methoxyphenyl-2-oxoacetaldehyde hydrate,pubchem12129,acmc-20ai17,4-methoxyphenyl glyoxal hydrate,p-methoxyphenylglyoxal monohydrate,2-4-methoxyphenyl-2-oxoethanal, hydrate,ethanone,2,2-dihydroxy-1-4-methoxyphenyl,4-methoxyphenyl oxo acetaldehyde-water 1/1,2-4-methoxyphenyl-2-oxidanylidene-ethanal hydrate |
| IUPAC Name | 2-(4-methoxyphenyl)-2-oxoacetaldehyde;hydrate |
| InChI Key | NLUFPYPVEHQAQN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-tert-Butylbenzylamine, 98%
CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN
| PubChem CID | 2735655 |
|---|---|
| CAS | 39895-55-1 |
| Molecular Weight (g/mol) | 163.264 |
| MDL Number | MFCD00040754 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN |
| Synonym | 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine |
| IUPAC Name | (4-tert-butylphenyl)methanamine |
| InChI Key | MPWSRGAWRAYBJK-UHFFFAOYSA-N |
| Molecular Formula | C11H17N |
5-Fluoro-2-nitrobenzaldehyde, 98%
CAS: 395-81-3 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.11 MDL Number: MFCD00153175 InChI Key: KKAFVHUJZPVWND-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzaldehyde,5-fluoro-2-nitrobenzadehyde,benzaldehyde, 5-fluoro-2-nitro,4-fluoro-2-formylnitrobenzene,5-fluoro-2-nitro-benzaldehyde,5-fluioro-2-nitrobenzaldehyde,pubchem3078,acmc-209j6a,3-fluoro-6-nitrobenzaldehyde,ksc581k6t PubChem CID: 587090 IUPAC Name: 5-fluoro-2-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(F)C=C1C=O
| PubChem CID | 587090 |
|---|---|
| CAS | 395-81-3 |
| Molecular Weight (g/mol) | 169.11 |
| MDL Number | MFCD00153175 |
| SMILES | [O-][N+](=O)C1=CC=C(F)C=C1C=O |
| Synonym | 2-nitro-5-fluorobenzaldehyde,5-fluoro-2-nitrobenzadehyde,benzaldehyde, 5-fluoro-2-nitro,4-fluoro-2-formylnitrobenzene,5-fluoro-2-nitro-benzaldehyde,5-fluioro-2-nitrobenzaldehyde,pubchem3078,acmc-209j6a,3-fluoro-6-nitrobenzaldehyde,ksc581k6t |
| IUPAC Name | 5-fluoro-2-nitrobenzaldehyde |
| InChI Key | KKAFVHUJZPVWND-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
(S)-(-)-1-Phenylpropyl isocyanate, 95%
CAS: 164033-12-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD05664090 InChI Key: XGPXXSJFZSZULR-JTQLQIEISA-N Synonym: s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl PubChem CID: 7018275 IUPAC Name: [(1S)-1-isocyanatopropyl]benzene SMILES: CCC(C1=CC=CC=C1)N=C=O
| PubChem CID | 7018275 |
|---|---|
| CAS | 164033-12-9 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD05664090 |
| SMILES | CCC(C1=CC=CC=C1)N=C=O |
| Synonym | s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl |
| IUPAC Name | [(1S)-1-isocyanatopropyl]benzene |
| InChI Key | XGPXXSJFZSZULR-JTQLQIEISA-N |
| Molecular Formula | C10H11NO |
4-Chloro-3-(trifluoromethyl)benzeneboronic acid, 96%
CAS: 176976-42-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD03094999 InChI Key: XHKNQBNGLMOTDB-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenylboronic acid,4-chloro-3-trifluoromethyl benzeneboronic acid,4-chloro-3-trifluoromethylphenylboronic acid,4-chloro-3-trifluoromethyl phenyl boronic acid,4-chloro-3-trifluoromethyl phenylboronicacid,4-chloro-3-trifluoromethylphenyl boronic acid,boronic acid, 4-chloro-3-trifluoromethyl phenyl,pubchem1796,acmc-1cg57 PubChem CID: 2782671 IUPAC Name: [4-chloro-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O
| PubChem CID | 2782671 |
|---|---|
| CAS | 176976-42-4 |
| Molecular Weight (g/mol) | 224.37 |
| MDL Number | MFCD03094999 |
| SMILES | B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O |
| Synonym | 4-chloro-3-trifluoromethyl phenylboronic acid,4-chloro-3-trifluoromethyl benzeneboronic acid,4-chloro-3-trifluoromethylphenylboronic acid,4-chloro-3-trifluoromethyl phenyl boronic acid,4-chloro-3-trifluoromethyl phenylboronicacid,4-chloro-3-trifluoromethylphenyl boronic acid,boronic acid, 4-chloro-3-trifluoromethyl phenyl,pubchem1796,acmc-1cg57 |
| IUPAC Name | [4-chloro-3-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | XHKNQBNGLMOTDB-UHFFFAOYSA-N |
| Molecular Formula | C7H5BClF3O2 |
2-Fluoro-5-nitrobenzaldehyde, 98%
CAS: 27996-87-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00042298 InChI Key: VVXFDFQEIRGULC-UHFFFAOYSA-N Synonym: fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde PubChem CID: 2734770 IUPAC Name: 2-fluoro-5-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)F
| PubChem CID | 2734770 |
|---|---|
| CAS | 27996-87-8 |
| Molecular Weight (g/mol) | 169.111 |
| MDL Number | MFCD00042298 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C=O)F |
| Synonym | fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde |
| IUPAC Name | 2-fluoro-5-nitrobenzaldehyde |
| InChI Key | VVXFDFQEIRGULC-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
Methyl 2-amino-5-fluorobenzoate, 98%
CAS: 319-24-4 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD03791308 InChI Key: PUDDYSBKCDKATP-UHFFFAOYSA-N Synonym: 2-amino-5-fluorobenzoic acid methyl ester,methyl2-amino-5-fluorobenzoate,methyl 5-fluoroanthranilate,methyl 2-amino-5-fluoro-benzoate,benzoic acid, 2-amino-5-fluoro-, methyl ester,2-amino-5-fluoro benzoic acid methyl ester,2-amino-5-fluoro-benzoic acid methyl ester,pubchem3558,acmc-209hpn,ksc495g7j PubChem CID: 2783401 IUPAC Name: methyl 2-amino-5-fluorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)F)N
| PubChem CID | 2783401 |
|---|---|
| CAS | 319-24-4 |
| Molecular Weight (g/mol) | 169.155 |
| MDL Number | MFCD03791308 |
| SMILES | COC(=O)C1=C(C=CC(=C1)F)N |
| Synonym | 2-amino-5-fluorobenzoic acid methyl ester,methyl2-amino-5-fluorobenzoate,methyl 5-fluoroanthranilate,methyl 2-amino-5-fluoro-benzoate,benzoic acid, 2-amino-5-fluoro-, methyl ester,2-amino-5-fluoro benzoic acid methyl ester,2-amino-5-fluoro-benzoic acid methyl ester,pubchem3558,acmc-209hpn,ksc495g7j |
| IUPAC Name | methyl 2-amino-5-fluorobenzoate |
| InChI Key | PUDDYSBKCDKATP-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO2 |
4-Bromophenylboronic acid, 98%
CAS: 5467-74-3 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD00002104 InChI Key: QBLFZIBJXUQVRF-UHFFFAOYSA-N Synonym: 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid PubChem CID: 79599 IUPAC Name: (4-bromophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C=C1
| PubChem CID | 79599 |
|---|---|
| CAS | 5467-74-3 |
| Molecular Weight (g/mol) | 200.83 |
| MDL Number | MFCD00002104 |
| SMILES | OB(O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid |
| IUPAC Name | (4-bromophenyl)boronic acid |
| InChI Key | QBLFZIBJXUQVRF-UHFFFAOYSA-N |
| Molecular Formula | C6H6BBrO2 |
Dinitrodurene, 97%, Thermo Scientific™
CAS: 5465-13-4 InChI Key: AEPQXGFMAZTUEA-UHFFFAOYSA-N Synonym: 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% PubChem CID: 79593 IUPAC Name: 1,2,4,5-tetramethyl-3,6-dinitrobenzene SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C
| PubChem CID | 79593 |
|---|---|
| CAS | 5465-13-4 |
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-])C |
| Synonym | 1,2,4,5-tetramethyl-3,6-dinitro-benzene,dinitrotrodurene,3,2,4,5-tetramethylbenzene,2,3,5,6-tetramethyl-p-dinitrobenzene,1,4,5-tetramethyl-3,6-dinitrobenzene,benzene,2,4,5-tetramethyl-3,6-dinitro,1,4-dinitro-2,3,5,6-tetramethylbenzene 97+% |
| IUPAC Name | 1,2,4,5-tetramethyl-3,6-dinitrobenzene |
| InChI Key | AEPQXGFMAZTUEA-UHFFFAOYSA-N |
Dibenzylamine, 98%
CAS: 103-49-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00004770 InChI Key: BWLUMTFWVZZZND-UHFFFAOYSA-N Synonym: dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 PubChem CID: 7656 SMILES: C(NCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7656 |
|---|---|
| CAS | 103-49-1 |
| Molecular Weight (g/mol) | 197.28 |
| MDL Number | MFCD00004770 |
| SMILES | C(NCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 |
| InChI Key | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| Molecular Formula | C14H15N |
N-Methyl-N-propargylbenzylamine, 97%
CAS: 555-57-7 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.23 MDL Number: MFCD00008576 InChI Key: DPWPWRLQFGFJFI-UHFFFAOYSA-N Synonym: pargyline,pargylamine,n-methyl-n-propargylbenzylamine,paragyline,eudatin,supirdyl,eutonyl,pargylin,n-methyl-n-2-propynylbenzylamine,benzyl-methyl-2-propinylamin PubChem CID: 4688 ChEBI: CHEBI:7930 IUPAC Name: N-benzyl-N-methylprop-2-yn-1-amine SMILES: CN(CC#C)CC1=CC=CC=C1
| PubChem CID | 4688 |
|---|---|
| CAS | 555-57-7 |
| Molecular Weight (g/mol) | 159.23 |
| ChEBI | CHEBI:7930 |
| MDL Number | MFCD00008576 |
| SMILES | CN(CC#C)CC1=CC=CC=C1 |
| Synonym | pargyline,pargylamine,n-methyl-n-propargylbenzylamine,paragyline,eudatin,supirdyl,eutonyl,pargylin,n-methyl-n-2-propynylbenzylamine,benzyl-methyl-2-propinylamin |
| IUPAC Name | N-benzyl-N-methylprop-2-yn-1-amine |
| InChI Key | DPWPWRLQFGFJFI-UHFFFAOYSA-N |
| Molecular Formula | C11H13N |
Nitroterephthalic acid, 99+%
CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
| PubChem CID | 69122 |
|---|---|
| CAS | 610-29-7 |
| Molecular Weight (g/mol) | 211.13 |
| MDL Number | MFCD00007141 |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O |
| Synonym | nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u |
| InChI Key | QUMITRDILMWWBC-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |