Cas no 5843-45-8 (Benzoyl isocyanate, 2-methyl-)
Benzoyl isocyanate, 2-methyl- structure
Product Name:Benzoyl isocyanate, 2-methyl-
CAS No:5843-45-8
MF:C9H7NO2
MW:161.157382249832
CID:342090
PubChem ID:12259962
Update Time:2025-04-19
Benzoyl isocyanate, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl isocyanate, 2-methyl-
- 2-methylbenzoyl isocyanate
- 5843-45-8
- 2-methylbenzoylisocyanate
- SCHEMBL4936719
- AKOS022300038
- DTXSID90482836
- 2-methylbenzoyl-isocyanate
- RZMVHCYCUAKRMM-UHFFFAOYSA-N
-
- Inchi： 1S/C9H7NO2/c1-7-4-2-3-5-8(7)9(12)10-6-11/h2-5H,1H3
- InChI Key： RZMVHCYCUAKRMM-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1C)N=C=O
Computed Properties
- Exact Mass: 161.04771
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 3.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.5
Benzoyl isocyanate, 2-methyl- Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
5843-45-8 (Benzoyl isocyanate, 2-methyl-) Related Products
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