Benzenoids
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2-Nitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 6293-87-4 Molecular Formula: C6H8ClN3O2 Molecular Weight (g/mol): 189.60 MDL Number: MFCD00060205 InChI Key: XCUBVSAYUSFHNN-UHFFFAOYSA-N PubChem CID: 5743520 IUPAC Name: 2-(2-nitrophenyl)hydrazinium chloride SMILES: [Cl-].[NH3+]NC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 5743520 |
|---|---|
| CAS | 6293-87-4 |
| Molecular Weight (g/mol) | 189.60 |
| MDL Number | MFCD00060205 |
| SMILES | [Cl-].[NH3+]NC1=CC=CC=C1[N+]([O-])=O |
| IUPAC Name | 2-(2-nitrophenyl)hydrazinium chloride |
| InChI Key | XCUBVSAYUSFHNN-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClN3O2 |
2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine 98.0+%, TCI America™
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CAS: 927384-42-7 Molecular Formula: C16H12BBrN2 Molecular Weight (g/mol): 323.00 MDL Number: MFCD16038144 InChI Key: VHWWJBPYVUEFBM-UHFFFAOYSA-N Synonym: 2-Bromo-1-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)benzene, 2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine PubChem CID: 53384411 IUPAC Name: 3-(2-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene SMILES: BrC1=CC=CC=C1B1NC2=CC=CC3=CC=CC(N1)=C23
| PubChem CID | 53384411 |
|---|---|
| CAS | 927384-42-7 |
| Molecular Weight (g/mol) | 323.00 |
| MDL Number | MFCD16038144 |
| SMILES | BrC1=CC=CC=C1B1NC2=CC=CC3=CC=CC(N1)=C23 |
| Synonym | 2-Bromo-1-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)benzene, 2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine |
| IUPAC Name | 3-(2-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene |
| InChI Key | VHWWJBPYVUEFBM-UHFFFAOYSA-N |
| Molecular Formula | C16H12BBrN2 |
2-(2-Fluorophenyl)ethanol 95.0+%, TCI America™
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CAS: 50919-06-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00002887 InChI Key: HNIGZVZDWCTFPR-UHFFFAOYSA-N Synonym: 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol PubChem CID: 2733296 IUPAC Name: 2-(2-fluorophenyl)ethan-1-ol SMILES: OCCC1=CC=CC=C1F
| PubChem CID | 2733296 |
|---|---|
| CAS | 50919-06-7 |
| Molecular Weight (g/mol) | 140.16 |
| MDL Number | MFCD00002887 |
| SMILES | OCCC1=CC=CC=C1F |
| Synonym | 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol |
| IUPAC Name | 2-(2-fluorophenyl)ethan-1-ol |
| InChI Key | HNIGZVZDWCTFPR-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO |
(R)-(+)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether 98.0+%, TCI America™
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CAS: 943757-71-9 Molecular Formula: C20H27NOSi Molecular Weight (g/mol): 325.53 MDL Number: MFCD09265100 InChI Key: RSUHWMSTWSSNOW-UHFFFAOYNA-N Synonym: (R)-(+)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine, alpha,alpha-Diphenyl-D-prolinol Trimethylsilyl Ether, (R)-Hayashi-Jorgensen Catalyst PubChem CID: 16218310 IUPAC Name: 2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine SMILES: C[Si](C)(C)OC(C1CCCN1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 16218310 |
|---|---|
| CAS | 943757-71-9 |
| Molecular Weight (g/mol) | 325.53 |
| MDL Number | MFCD09265100 |
| SMILES | C[Si](C)(C)OC(C1CCCN1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | (R)-(+)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine, alpha,alpha-Diphenyl-D-prolinol Trimethylsilyl Ether, (R)-Hayashi-Jorgensen Catalyst |
| IUPAC Name | 2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine |
| InChI Key | RSUHWMSTWSSNOW-UHFFFAOYNA-N |
| Molecular Formula | C20H27NOSi |
N-(Triphenylmethyl)-L-serine Methyl Ester 98.0+%, TCI America™
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CAS: 4465-44-5 Molecular Formula: C23H23NO3 Molecular Weight (g/mol): 361.441 MDL Number: MFCD00192570 InChI Key: LXAWQKKSNNYYEK-NRFANRHFSA-N Synonym: N-Trityl-L-serine Methyl Ester, Trt-Ser-OMe PubChem CID: 7128367 IUPAC Name: methyl (2S)-3-hydroxy-2-(tritylamino)propanoate SMILES: COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 7128367 |
|---|---|
| CAS | 4465-44-5 |
| Molecular Weight (g/mol) | 361.441 |
| MDL Number | MFCD00192570 |
| SMILES | COC(=O)C(CO)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | N-Trityl-L-serine Methyl Ester, Trt-Ser-OMe |
| IUPAC Name | methyl (2S)-3-hydroxy-2-(tritylamino)propanoate |
| InChI Key | LXAWQKKSNNYYEK-NRFANRHFSA-N |
| Molecular Formula | C23H23NO3 |
2,5-Difluorobenzylamine 98.0+%, TCI America™
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CAS: 85118-06-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010143 InChI Key: GDFBHCMFIUBEQT-UHFFFAOYSA-N Synonym: 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p PubChem CID: 123589 IUPAC Name: 1-(2,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC=C1F
| PubChem CID | 123589 |
|---|---|
| CAS | 85118-06-5 |
| Molecular Weight (g/mol) | 143.14 |
| MDL Number | MFCD00010143 |
| SMILES | NCC1=CC(F)=CC=C1F |
| Synonym | 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p |
| IUPAC Name | 1-(2,5-difluorophenyl)methanamine |
| InChI Key | GDFBHCMFIUBEQT-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2N |
1,6-Dihydroxynaphthalene 99.0+%, TCI America™
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CAS: 575-44-0 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00003981 InChI Key: FZZQNEVOYIYFPF-UHFFFAOYSA-N Synonym: 1,6-dihydroxynaphthalene,1,6-naphthalenediol,6-hydroxy-1-naphthol,1,6-dihydroxy naphthalene,2,5-naphthalenediol,2,5-dihydroxynaphthalene,naphthalene, 1,6-dihydroxy,ccris 7894,1,6-dihydroxynaphtalene,1.6-dihydroxynaphthalene PubChem CID: 68463 ChEBI: CHEBI:42040 IUPAC Name: naphthalene-1,6-diol SMILES: C1=CC2=C(C=CC(=C2)O)C(=C1)O
| PubChem CID | 68463 |
|---|---|
| CAS | 575-44-0 |
| Molecular Weight (g/mol) | 160.172 |
| ChEBI | CHEBI:42040 |
| MDL Number | MFCD00003981 |
| SMILES | C1=CC2=C(C=CC(=C2)O)C(=C1)O |
| Synonym | 1,6-dihydroxynaphthalene,1,6-naphthalenediol,6-hydroxy-1-naphthol,1,6-dihydroxy naphthalene,2,5-naphthalenediol,2,5-dihydroxynaphthalene,naphthalene, 1,6-dihydroxy,ccris 7894,1,6-dihydroxynaphtalene,1.6-dihydroxynaphthalene |
| IUPAC Name | naphthalene-1,6-diol |
| InChI Key | FZZQNEVOYIYFPF-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
2-(4-Bromophenyl)naphthalene 98.0+%, TCI America™
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CAS: 22082-99-1 Molecular Formula: C16H11Br Molecular Weight (g/mol): 283.17 MDL Number: MFCD09271778 InChI Key: SAODOTSIOILVSO-UHFFFAOYSA-N PubChem CID: 5461752 IUPAC Name: 2-(4-bromophenyl)naphthalene SMILES: BrC1=CC=C(C=C1)C1=CC2=CC=CC=C2C=C1
| PubChem CID | 5461752 |
|---|---|
| CAS | 22082-99-1 |
| Molecular Weight (g/mol) | 283.17 |
| MDL Number | MFCD09271778 |
| SMILES | BrC1=CC=C(C=C1)C1=CC2=CC=CC=C2C=C1 |
| IUPAC Name | 2-(4-bromophenyl)naphthalene |
| InChI Key | SAODOTSIOILVSO-UHFFFAOYSA-N |
| Molecular Formula | C16H11Br |
m-Cymene 99.0+%, TCI America™
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CAS: 535-77-3 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008891 InChI Key: XCYJPXQACVEIOS-UHFFFAOYSA-N Synonym: m-cymene,1-isopropyl-3-methylbenzene,3-isopropyltoluene,m-isopropyltoluene,m-cymol,m-methylisopropylbenzene,beta-cymene,benzene, 1-methyl-3-1-methylethyl,1-methyl-3-isopropylbenzene,1-methyl-3-1-methylethyl benzene PubChem CID: 10812 IUPAC Name: 1-methyl-3-(propan-2-yl)benzene SMILES: CC(C)C1=CC=CC(C)=C1
| PubChem CID | 10812 |
|---|---|
| CAS | 535-77-3 |
| Molecular Weight (g/mol) | 134.22 |
| MDL Number | MFCD00008891 |
| SMILES | CC(C)C1=CC=CC(C)=C1 |
| Synonym | m-cymene,1-isopropyl-3-methylbenzene,3-isopropyltoluene,m-isopropyltoluene,m-cymol,m-methylisopropylbenzene,beta-cymene,benzene, 1-methyl-3-1-methylethyl,1-methyl-3-isopropylbenzene,1-methyl-3-1-methylethyl benzene |
| IUPAC Name | 1-methyl-3-(propan-2-yl)benzene |
| InChI Key | XCYJPXQACVEIOS-UHFFFAOYSA-N |
| Molecular Formula | C10H14 |
O-(2,3,4,5,6-Pentafluorobenzyl)formaldoxime 98.0+%, TCI America™
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CAS: 86356-73-2 Molecular Formula: C8H4F5NO Molecular Weight (g/mol): 225.118 MDL Number: MFCD00191477 InChI Key: SRTQFRQWTUMMTC-UHFFFAOYSA-N PubChem CID: 602486 IUPAC Name: N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine SMILES: C=NOCC1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 602486 |
|---|---|
| CAS | 86356-73-2 |
| Molecular Weight (g/mol) | 225.118 |
| MDL Number | MFCD00191477 |
| SMILES | C=NOCC1=C(C(=C(C(=C1F)F)F)F)F |
| IUPAC Name | N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine |
| InChI Key | SRTQFRQWTUMMTC-UHFFFAOYSA-N |
| Molecular Formula | C8H4F5NO |
2,4-Dichloro-5-fluorobenzoic Acid 98.0+%, TCI America™
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CAS: 86522-89-6 Molecular Formula: C7H2Cl2FO2 Molecular Weight (g/mol): 207.99 MDL Number: MFCD00075281 InChI Key: KZCWJHUTTSVCRO-UHFFFAOYSA-M Synonym: 2,4-dichloro-5-fluoro-benzoic acid,2,4-dichloro-5-fluoro benzoic acid,benzoic acid, 2,4-dichloro-5-fluoro,pubchem1338,maybridge1_002392,acmc-209qa7,ksc448a5p,rarechem al be 1219,timtec-bb sbb003459,2 4-dichloro-5-fluorobenzoic acid PubChem CID: 688138 IUPAC Name: 2,4-dichloro-5-fluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=C(Cl)C=C1Cl
| PubChem CID | 688138 |
|---|---|
| CAS | 86522-89-6 |
| Molecular Weight (g/mol) | 207.99 |
| MDL Number | MFCD00075281 |
| SMILES | [O-]C(=O)C1=CC(F)=C(Cl)C=C1Cl |
| Synonym | 2,4-dichloro-5-fluoro-benzoic acid,2,4-dichloro-5-fluoro benzoic acid,benzoic acid, 2,4-dichloro-5-fluoro,pubchem1338,maybridge1_002392,acmc-209qa7,ksc448a5p,rarechem al be 1219,timtec-bb sbb003459,2 4-dichloro-5-fluorobenzoic acid |
| IUPAC Name | 2,4-dichloro-5-fluorobenzoate |
| InChI Key | KZCWJHUTTSVCRO-UHFFFAOYSA-M |
| Molecular Formula | C7H2Cl2FO2 |
Methyl Thiosalicylate 98.0+%, TCI America™
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CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S
| PubChem CID | 21009 |
|---|---|
| CAS | 4892-02-8 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00060678 |
| SMILES | COC(=O)C1=CC=CC=C1S |
| Synonym | methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester |
| IUPAC Name | methyl 2-sulfanylbenzoate |
| InChI Key | BAQGCWNPCFABAY-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
4-Amino-3-chlorobenzotrifluoride 97.0+%, TCI America™
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CAS: 39885-50-2 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00042563 InChI Key: MBBUTABXEITVNY-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 PubChem CID: 162001 IUPAC Name: 2-chloro-4-(trifluoromethyl)aniline SMILES: NC1=CC=C(C=C1Cl)C(F)(F)F
| PubChem CID | 162001 |
|---|---|
| CAS | 39885-50-2 |
| Molecular Weight (g/mol) | 195.57 |
| MDL Number | MFCD00042563 |
| SMILES | NC1=CC=C(C=C1Cl)C(F)(F)F |
| Synonym | 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)aniline |
| InChI Key | MBBUTABXEITVNY-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF3N |
4-Fluoro-3-methylbenzaldehyde 98.0+%, TCI America™
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CAS: 135427-08-6 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.141 MDL Number: MFCD01631431 InChI Key: NRFKZFFVTGGEQF-UHFFFAOYSA-N Synonym: 4-fluoro-3-methyl benzaldehyde,benzaldehyde, 4-fluoro-3-methyl,3-methyl-4-fluorobenzaldehyde,4-fluoro-3-methyl-benzaldehyde,4-fluoro-3-methylbenzaldehyde,pubchem1457,acmc-1chue,ksc494g7n,pharmabridge p-3415,3-methyl-4-fluoro benzaldehyde PubChem CID: 2734874 IUPAC Name: 4-fluoro-3-methylbenzaldehyde SMILES: CC1=C(C=CC(=C1)C=O)F
| PubChem CID | 2734874 |
|---|---|
| CAS | 135427-08-6 |
| Molecular Weight (g/mol) | 138.141 |
| MDL Number | MFCD01631431 |
| SMILES | CC1=C(C=CC(=C1)C=O)F |
| Synonym | 4-fluoro-3-methyl benzaldehyde,benzaldehyde, 4-fluoro-3-methyl,3-methyl-4-fluorobenzaldehyde,4-fluoro-3-methyl-benzaldehyde,4-fluoro-3-methylbenzaldehyde,pubchem1457,acmc-1chue,ksc494g7n,pharmabridge p-3415,3-methyl-4-fluoro benzaldehyde |
| IUPAC Name | 4-fluoro-3-methylbenzaldehyde |
| InChI Key | NRFKZFFVTGGEQF-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
2,5-Dibromobenzoic Acid 97.0+%, TCI America™
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CAS: 610-71-9 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00016494 InChI Key: SQQKOTVDGCJJKI-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid PubChem CID: 11891 IUPAC Name: 2,5-dibromobenzoic acid SMILES: OC(=O)C1=CC(Br)=CC=C1Br
| PubChem CID | 11891 |
|---|---|
| CAS | 610-71-9 |
| Molecular Weight (g/mol) | 279.92 |
| MDL Number | MFCD00016494 |
| SMILES | OC(=O)C1=CC(Br)=CC=C1Br |
| Synonym | benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid |
| IUPAC Name | 2,5-dibromobenzoic acid |
| InChI Key | SQQKOTVDGCJJKI-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |