Cas no 188867-90-5 (3-Azido-2-methylbenzonitrile)
3-Azido-2-methylbenzonitrile structure
Product Name:3-Azido-2-methylbenzonitrile
CAS No:188867-90-5
MF:C8H6N4
MW:158.160040378571
CID:2785908
PubChem ID:71348407
Update Time:2024-03-01
3-Azido-2-methylbenzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-Azido-2-methylbenzonitrile
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- Inchi: 1S/C8H6N4/c1-6-7(5-9)3-2-4-8(6)11-12-10/h2-4H,1H3
- InChI Key: AQWLWVFETXYRFT-UHFFFAOYSA-N
- SMILES: N(C1C=CC=C(C#N)C=1C)=[N+]=[N-]
Computed Properties
- Exact Mass: 158.059246208g/mol
- Monoisotopic Mass: 158.059246208g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 38.2
3-Azido-2-methylbenzonitrile Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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