Cas no 342403-13-8 (Benzoyl isocyanate,4-hydroxy-)
Benzoyl isocyanate,4-hydroxy- structure
Product Name:Benzoyl isocyanate,4-hydroxy-
CAS No:342403-13-8
MF:C8H5NO3
MW:163.130202054977
CID:302204
PubChem ID:12410417
Update Time:2025-04-19
Benzoyl isocyanate,4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl isocyanate,4-hydroxy-
- Benzoyl isocyanate, 4-hydroxy- (9CI)
- 4-hydroxybenzoyl isocyanate
- Benzoyl isocyanate,4-hydroxy-(9ci)
- DTXSID30496972
- 342403-13-8
-
- Inchi： 1S/C8H5NO3/c10-5-9-8(12)6-1-3-7(11)4-2-6/h1-4,11H
- InChI Key： GXEIVFFRQBOJJB-UHFFFAOYSA-N
- SMILES： OC1C=CC(C(N=C=O)=O)=CC=1
Computed Properties
- Exact Mass: 163.02695
- Monoisotopic Mass: 163.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 2.2
- Topological Polar Surface Area: 66.7?2
Experimental Properties
- PSA: 66.73
Benzoyl isocyanate,4-hydroxy- Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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