| 2D Structure | |
| CID | 12104 |
| Target | ESR1 |
| IUPAC Name | 3-methylbenzonitrile |
| InChI | InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3 |
| InChI Key | BOHCMQZJWOGWTA-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=CC=C1)C#N |
| Isomeric SMILES | CC1=CC(=CC=C1)C#N |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.15 |
| synonyms | ['m-Tolunitrile', '3-METHYLBENZONITRILE', '620-22-4', 'Benzonitrile, 3-methyl-', '3-Cyanotoluene', 'm-Cyanotoluene', '3-Tolunitrile', 'm-Toluonitrile', 'm-Toluenenitrile', 'm-Tolylnitrile', 'm-Methylbenzonitrile', 'm-Tolynitrile', '1-Methyl-3-cyanobenzene', '3-Toluenkarbonitril', 'Nitril kyseliny m-toluylove', '3-Toluenkarbonitril [Czech]', 'NSC 75453', 'CCRIS 4736', 'AH2J4VY1AK', 'Nitril kyseliny m-toluylove (czech)', 'EINECS 210-631-5', 'DTXSID6026167', 'AI3-17129', '3-TOLYL CYANIDE', 'TOLUNITRILE, M-', 'NSC-75453', 'DTXCID406167', 'mCyanotoluene', 'mToluenenitrile', 'mToluonitrile', 'mTolylnitrile', 'mTolynitrile', '3Cyanotoluene', '3Tolunitrile', '3Toluenkarbonitril', 'mMethylbenzonitrile', '3Methylbenzonitrile', '1Methyl3cyanobenzene', '3Methyl benzonitrile', 'Benzonitrile, 3methyl', 'Nitril kyseliny mtoluylove', 'Nitril kyseliny mtoluylove (czech)', '3-methyl-benzonitrile', 'MFCD00001808', 'MTN', '3-methylbenzenecarbonitrile', 'meta-Tolunitrile', 'm-Tolunitrile, 99%', 'META TOLUNITRILE', 'UNII-AH2J4VY1AK', 'WLN: NCR C1', 'SCHEMBL12865', 'MLS002415748', 'CHEMBL1229944', 'DTXSID601031444', 'HMS3039A08', 'NSC75453', 'STR01636', 'Tox21_200853', 'AKOS000121444', 'FM64163', 'NCGC00091818-01', 'NCGC00091818-02', 'NCGC00258407-01', 'AC-16981', 'CAS-620-22-4', 'SMR001370911', 'DB-054043', 'NS00022520', 'T0305', 'EN300-21216', 'A833542', 'Q27453019', 'F0001-1651', 'InChI=1/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H', '2HT', '61142-85-6'] |
From Pubchem