Cas no 63159-98-8 (1H-1,2-Diazepine, 1-benzoyl-6-chloro-)
63159-98-8 structure
Product Name:1H-1,2-Diazepine, 1-benzoyl-6-chloro-
CAS No:63159-98-8
MF:C12H9ClN2O
MW:232.66566157341
CID:427136
PubChem ID:13112010
Update Time:2025-04-19
1H-1,2-Diazepine, 1-benzoyl-6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,2-Diazepine, 1-benzoyl-6-chloro-
- (6-chlorodiazepin-1-yl)-phenylmethanone
- (6-Chloro-1H-1,2-diazepin-1-yl)(phenyl)methanone
- DTXSID50518706
- 63159-98-8
-
- Inchi： 1S/C12H9ClN2O/c13-11-7-4-8-14-15(9-11)12(16)10-5-2-1-3-6-10/h1-9H
- InChI Key： XSFKJVHIYINORF-UHFFFAOYSA-N
- SMILES： ClC1C=CC=NN(C=1)C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 232.04047
- Monoisotopic Mass: 232.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 354
- 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: 32.7?2
Experimental Properties
- PSA: 34.89
1H-1,2-Diazepine, 1-benzoyl-6-chloro- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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