Organic compounds
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Imidazole-4(5)-acetic Acid Hydrochloride 98.0+%, TCI America™
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CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1
| PubChem CID | 145685 |
|---|---|
| CAS | 3251-69-2 |
| Molecular Weight (g/mol) | 162.57 |
| MDL Number | MFCD00012698 |
| SMILES | Cl.OC(=O)CC1=CN=CN1 |
| Synonym | 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao |
| IUPAC Name | 2-(1H-imidazol-5-yl)acetic acid hydrochloride |
| InChI Key | MWHLCFYPFGFBQO-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClN2O2 |
4-Bromo-3-fluoroaniline 98.0+%, TCI America™
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CAS: 656-65-5 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00672933 InChI Key: YTMVYYAKOPIJCZ-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorophenylamine,3-fluoro-4-bromoaniline,4-bromo-3-fluoro aniline,benzenamine, 4-bromo-3-fluoro,4-brom-3-fluoranilin,zlchem 544,pubchem1526,acmc-1badx,4-bromo-3-fluro-aniline,4-bromo-3-fluoro-aniline PubChem CID: 821848 IUPAC Name: 4-bromo-3-fluoroaniline SMILES: C1=CC(=C(C=C1N)F)Br
| PubChem CID | 821848 |
|---|---|
| CAS | 656-65-5 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD00672933 |
| SMILES | C1=CC(=C(C=C1N)F)Br |
| Synonym | 4-bromo-3-fluorophenylamine,3-fluoro-4-bromoaniline,4-bromo-3-fluoro aniline,benzenamine, 4-bromo-3-fluoro,4-brom-3-fluoranilin,zlchem 544,pubchem1526,acmc-1badx,4-bromo-3-fluro-aniline,4-bromo-3-fluoro-aniline |
| IUPAC Name | 4-bromo-3-fluoroaniline |
| InChI Key | YTMVYYAKOPIJCZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
2,3-Dibromobutane 99.0+%, TCI America™
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CAS: 5408-86-6 Molecular Formula: C4H8Br2 Molecular Weight (g/mol): 215.916 MDL Number: MFCD00000146 InChI Key: BXXWFOGWXLJPPA-UHFFFAOYSA-N Synonym: butane, 2,3-dibromo,dl-2,3-dibromobutane,+/--2,3-dibromobutane,ss-butylene bromide,.+-.-2,3-dibromobutane,dibromo butane,butane,3-dibromo,beta-butylene bromide,r*,r*-+--2,3-dibromobutane,pubchem12534 PubChem CID: 21508 IUPAC Name: 2,3-dibromobutane SMILES: CC(C(C)Br)Br
| PubChem CID | 21508 |
|---|---|
| CAS | 5408-86-6 |
| Molecular Weight (g/mol) | 215.916 |
| MDL Number | MFCD00000146 |
| SMILES | CC(C(C)Br)Br |
| Synonym | butane, 2,3-dibromo,dl-2,3-dibromobutane,+/--2,3-dibromobutane,ss-butylene bromide,.+-.-2,3-dibromobutane,dibromo butane,butane,3-dibromo,beta-butylene bromide,r*,r*-+--2,3-dibromobutane,pubchem12534 |
| IUPAC Name | 2,3-dibromobutane |
| InChI Key | BXXWFOGWXLJPPA-UHFFFAOYSA-N |
| Molecular Formula | C4H8Br2 |
Methyl 5-Methyl-2-nitrobenzoate 98.0+%, TCI America™
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CAS: 20587-30-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00157275 InChI Key: KFOICDVZQKFCGM-UHFFFAOYSA-N Synonym: 5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester PubChem CID: 3314122 IUPAC Name: methyl 5-methyl-2-nitrobenzoate SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC
| PubChem CID | 3314122 |
|---|---|
| CAS | 20587-30-8 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00157275 |
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC |
| Synonym | 5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester |
| IUPAC Name | methyl 5-methyl-2-nitrobenzoate |
| InChI Key | KFOICDVZQKFCGM-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
2'-Chloro-4'-fluoroacetophenone 97.0+%, TCI America™
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CAS: 700-35-6 Molecular Formula: C8H6ClFO Molecular Weight (g/mol): 172.583 MDL Number: MFCD00042202 InChI Key: CSEMGLVHVZRXQF-UHFFFAOYSA-N Synonym: 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone PubChem CID: 2736507 IUPAC Name: 1-(2-chloro-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)Cl
| PubChem CID | 2736507 |
|---|---|
| CAS | 700-35-6 |
| Molecular Weight (g/mol) | 172.583 |
| MDL Number | MFCD00042202 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)Cl |
| Synonym | 1-2-chloro-4-fluorophenyl ethanone,2'-chloro-4'-fluoroacetophenone,2-chloro-4-fluoroacetophenone,1-2-chloro-4-fluorophenyl ethan-1-one,ethanone, 1-2-chloro-4-fluorophenyl,1-acetyl-2-chloro-4-fluorobenzene,pubchem4187,2-chloro-4-fluoracetophenone,ksc631o2l,4'-fluoro-2'-chloroacetophenone |
| IUPAC Name | 1-(2-chloro-4-fluorophenyl)ethanone |
| InChI Key | CSEMGLVHVZRXQF-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClFO |
Triethyl Orthochloroacetate 95.0+%, TCI America™
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CAS: 51076-95-0 Molecular Formula: C8H17ClO3 Molecular Weight (g/mol): 196.671 MDL Number: MFCD00142889 InChI Key: URFKLQSFBXBOQU-UHFFFAOYSA-N Synonym: 2-chloro-1,1,1-triethoxy-ethane,triethyl orthochloroacetate,2-chloro-1,1,1-triethoxy ethane,orthochloroacetic acid triethyl ester,ethane, 2-chloro-1,1,1-triethoxy,chlorotriethoxyethane,acmc-209tex,2-chloro-1, 1,1-triethoxy-ethane,2-chloranyl-1,1,1-triethoxy-ethane,2-chloro-1,1,1-triethoxyethane PubChem CID: 305922 IUPAC Name: 2-chloro-1,1,1-triethoxyethane SMILES: CCOC(CCl)(OCC)OCC
| PubChem CID | 305922 |
|---|---|
| CAS | 51076-95-0 |
| Molecular Weight (g/mol) | 196.671 |
| MDL Number | MFCD00142889 |
| SMILES | CCOC(CCl)(OCC)OCC |
| Synonym | 2-chloro-1,1,1-triethoxy-ethane,triethyl orthochloroacetate,2-chloro-1,1,1-triethoxy ethane,orthochloroacetic acid triethyl ester,ethane, 2-chloro-1,1,1-triethoxy,chlorotriethoxyethane,acmc-209tex,2-chloro-1, 1,1-triethoxy-ethane,2-chloranyl-1,1,1-triethoxy-ethane,2-chloro-1,1,1-triethoxyethane |
| IUPAC Name | 2-chloro-1,1,1-triethoxyethane |
| InChI Key | URFKLQSFBXBOQU-UHFFFAOYSA-N |
| Molecular Formula | C8H17ClO3 |
3,6-Bis(bromomethyl)durene 98.0+%, TCI America™
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CAS: 35168-64-0 Molecular Formula: C12H16Br2 Molecular Weight (g/mol): 320.07 MDL Number: MFCD01114746 InChI Key: OREPDRBSWICSCF-UHFFFAOYSA-N Synonym: 1,4-Bis(bromomethyl)-2,3,5,6-tetramethylbenzene PubChem CID: 2752645 IUPAC Name: 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene SMILES: CC1=C(C)C(CBr)=C(C)C(C)=C1CBr
| PubChem CID | 2752645 |
|---|---|
| CAS | 35168-64-0 |
| Molecular Weight (g/mol) | 320.07 |
| MDL Number | MFCD01114746 |
| SMILES | CC1=C(C)C(CBr)=C(C)C(C)=C1CBr |
| Synonym | 1,4-Bis(bromomethyl)-2,3,5,6-tetramethylbenzene |
| IUPAC Name | 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene |
| InChI Key | OREPDRBSWICSCF-UHFFFAOYSA-N |
| Molecular Formula | C12H16Br2 |
1,3-Dimethylurea 98.0+%, TCI America™
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CAS: 96-31-1 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00008286 InChI Key: MGJKQDOBUOMPEZ-UHFFFAOYSA-N Synonym: n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x PubChem CID: 7293 ChEBI: CHEBI:80472 IUPAC Name: 1,3-dimethylurea SMILES: CNC(=O)NC
| PubChem CID | 7293 |
|---|---|
| CAS | 96-31-1 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:80472 |
| MDL Number | MFCD00008286 |
| SMILES | CNC(=O)NC |
| Synonym | n,n'-dimethylurea,sym-dimethylurea,urea, n,n'-dimethyl,dimethylurea,symmetric dimethylurea,urea, 1,3-dimethyl,n,n'-dimethylharnstoff,1,3-dimethyl urea,n,n'-dimethylharnstoff german,unii-wam6dr9i4x |
| IUPAC Name | 1,3-dimethylurea |
| InChI Key | MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
3-Chloro-4-fluorobenzoic Acid 98.0+%, TCI America™
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CAS: 403-16-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042477 InChI Key: PKTSBFXIHLYGEY-UHFFFAOYSA-N Synonym: 4-fluoro-3-chlorobenzoic acid,3-chloro-4-fluoro-benzoic acid,4-fluoro-3-chlorobenzoyl acid,benzoic acid, 3-chloro-4-fluoro,3-chloro-4-fluorobenzoicacid,4-fluoro-3-chloro benzoyl acid,pubchem1334,acmc-209jcy,3-chloro4-fluorobenzoic acid PubChem CID: 520989 IUPAC Name: 3-chloro-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)Cl)F
| PubChem CID | 520989 |
|---|---|
| CAS | 403-16-7 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00042477 |
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)F |
| Synonym | 4-fluoro-3-chlorobenzoic acid,3-chloro-4-fluoro-benzoic acid,4-fluoro-3-chlorobenzoyl acid,benzoic acid, 3-chloro-4-fluoro,3-chloro-4-fluorobenzoicacid,4-fluoro-3-chloro benzoyl acid,pubchem1334,acmc-209jcy,3-chloro4-fluorobenzoic acid |
| IUPAC Name | 3-chloro-4-fluorobenzoic acid |
| InChI Key | PKTSBFXIHLYGEY-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
3-Fluorosalicylaldehyde 98.0+%, TCI America™
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CAS: 394-50-3 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00003319 InChI Key: NWDHTEIVMDYWQJ-UHFFFAOYSA-N Synonym: 3-fluorosalicylaldehyde,3-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-2-hydroxy,zlchem 257,pubchem4215,3-fluor-salicylaldehyd,acmc-209j5k,ksc497m8b,2-hydroxy-3-fluoro-benzaldehyde PubChem CID: 587788 IUPAC Name: 3-fluoro-2-hydroxybenzaldehyde SMILES: OC1=C(C=O)C=CC=C1F
| PubChem CID | 587788 |
|---|---|
| CAS | 394-50-3 |
| Molecular Weight (g/mol) | 140.11 |
| MDL Number | MFCD00003319 |
| SMILES | OC1=C(C=O)C=CC=C1F |
| Synonym | 3-fluorosalicylaldehyde,3-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-2-hydroxy,zlchem 257,pubchem4215,3-fluor-salicylaldehyd,acmc-209j5k,ksc497m8b,2-hydroxy-3-fluoro-benzaldehyde |
| IUPAC Name | 3-fluoro-2-hydroxybenzaldehyde |
| InChI Key | NWDHTEIVMDYWQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
Ethyl cis-3-Bromoacrylate 98.0+%, TCI America™
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CAS: 31930-34-4 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00674501 InChI Key: UJTJVQIYRQALIK-ONEGZZNKSA-N Synonym: ethyl cis-3-bromoacrylate,ethyl 2z-3-bromoprop-2-enoate,ethyl z-3-bromoacrylate,ethyl 2z-3-bromoacrylate,ethyl z-3-bromoprop-2-enoate,cis-3-bromoacrylic acid ethyl ester,ethyl cis-3-bromoacrylate gc,2-propenoic acid, 3-bromo-, ethyl ester, 2z PubChem CID: 643842 IUPAC Name: ethyl (2E)-3-bromoprop-2-enoate SMILES: CCOC(=O)\C=C\Br
| PubChem CID | 643842 |
|---|---|
| CAS | 31930-34-4 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00674501 |
| SMILES | CCOC(=O)\C=C\Br |
| Synonym | ethyl cis-3-bromoacrylate,ethyl 2z-3-bromoprop-2-enoate,ethyl z-3-bromoacrylate,ethyl 2z-3-bromoacrylate,ethyl z-3-bromoprop-2-enoate,cis-3-bromoacrylic acid ethyl ester,ethyl cis-3-bromoacrylate gc,2-propenoic acid, 3-bromo-, ethyl ester, 2z |
| IUPAC Name | ethyl (2E)-3-bromoprop-2-enoate |
| InChI Key | UJTJVQIYRQALIK-ONEGZZNKSA-N |
| Molecular Formula | C5H7BrO2 |
4-Ethylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 63139-21-9 Molecular Formula: C8H11BO2 Molecular Weight (g/mol): 149.98 MDL Number: MFCD00859377 InChI Key: RZCPLOMUUCFPQA-UHFFFAOYSA-N PubChem CID: 2734352 IUPAC Name: (4-ethylphenyl)boronic acid SMILES: CCC1=CC=C(C=C1)B(O)O
| PubChem CID | 2734352 |
|---|---|
| CAS | 63139-21-9 |
| Molecular Weight (g/mol) | 149.98 |
| MDL Number | MFCD00859377 |
| SMILES | CCC1=CC=C(C=C1)B(O)O |
| IUPAC Name | (4-ethylphenyl)boronic acid |
| InChI Key | RZCPLOMUUCFPQA-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO2 |
Butyl Lactate 98.0+%, TCI America™
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CAS: 138-22-7 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N Synonym: butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 PubChem CID: 8738 IUPAC Name: butyl 2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O
| PubChem CID | 8738 |
|---|---|
| CAS | 138-22-7 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00004519 |
| SMILES | CCCCOC(=O)C(C)O |
| Synonym | butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 |
| IUPAC Name | butyl 2-hydroxypropanoate |
| InChI Key | MRABAEUHTLLEML-UHFFFAOYNA-N |
| Molecular Formula | C7H14O3 |
N-2-Nitrophenylsulfenyl-L-isoleucine Dicyclohexylammonium Salt 98.0+%, TCI America™
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CAS: 10382-52-2 Molecular Formula: C24H39N3O4S Molecular Weight (g/mol): 465.653 MDL Number: MFCD00038495 InChI Key: IBYYSIWLIRUKII-RWHJDYSMSA-N Synonym: N-(2-Nitrophenylthio)-L-isoleucine Dicyclohexylammonium Salt, N-Nps-L-isoleucine Dicyclohexylammonium Salt, Nps-Ile-OH.DCHA PubChem CID: 91659100 IUPAC Name: N-cyclohexylcyclohexanamine;(2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid SMILES: CCC(C)C(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2
| PubChem CID | 91659100 |
|---|---|
| CAS | 10382-52-2 |
| Molecular Weight (g/mol) | 465.653 |
| MDL Number | MFCD00038495 |
| SMILES | CCC(C)C(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2 |
| Synonym | N-(2-Nitrophenylthio)-L-isoleucine Dicyclohexylammonium Salt, N-Nps-L-isoleucine Dicyclohexylammonium Salt, Nps-Ile-OH.DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid |
| InChI Key | IBYYSIWLIRUKII-RWHJDYSMSA-N |
| Molecular Formula | C24H39N3O4S |
4-Ethynylpyridine 98.0+%, TCI America™
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CAS: 2510-22-7 Molecular Formula: C7H5N Molecular Weight (g/mol): 103.124 MDL Number: MFCD04038420 InChI Key: FDEDJRHULYIJOR-UHFFFAOYSA-N Synonym: 4-Pyridylacetylene PubChem CID: 642801 IUPAC Name: 4-ethynylpyridine SMILES: C#CC1=CC=NC=C1
| PubChem CID | 642801 |
|---|---|
| CAS | 2510-22-7 |
| Molecular Weight (g/mol) | 103.124 |
| MDL Number | MFCD04038420 |
| SMILES | C#CC1=CC=NC=C1 |
| Synonym | 4-Pyridylacetylene |
| IUPAC Name | 4-ethynylpyridine |
| InChI Key | FDEDJRHULYIJOR-UHFFFAOYSA-N |
| Molecular Formula | C7H5N |