Cas no 113115-61-0 (1H-Benzimidazole-2-carboxamide,6-chloro-)
113115-61-0 structure
Product Name:1H-Benzimidazole-2-carboxamide,6-chloro-
CAS No:113115-61-0
MF:C8H6ClN3O
MW:195.605740070343
CID:130056
PubChem ID:18627015
Update Time:2025-04-19
1H-Benzimidazole-2-carboxamide,6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carboxamide,6-chloro-
- 1H-Benzimidazole-2-carboxamide,5-chloro-(9CI)
- 6-chloro-1H-benzimidazole-2-carboxamide
- 113115-61-0
- SCHEMBL3064168
-
- Inchi： 1S/C8H6ClN3O/c9-4-1-2-5-6(3-4)12-8(11-5)7(10)13/h1-3H,(H2,10,13)(H,11,12)
- InChI Key： ZLNNJSSPVHXYLA-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)NC(C(N)=O)=N2
Computed Properties
- Exact Mass: 194.01225
- Monoisotopic Mass: 195.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 223
- 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: 1.4
- Topological Polar Surface Area: 71.8A^2
Experimental Properties
- PSA: 68.87
1H-Benzimidazole-2-carboxamide,6-chloro- Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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