Cas no 34373-78-9 (1H-Benzimidazole,4-chloro-1,2-dimethyl-)
34373-78-9 structure
Product Name:1H-Benzimidazole,4-chloro-1,2-dimethyl-
CAS No:34373-78-9
MF:C9H9ClN2
MW:180.634160757065
CID:294802
PubChem ID:12693247
Update Time:2025-04-19
1H-Benzimidazole,4-chloro-1,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,4-chloro-1,2-dimethyl-
- 1,2-Dimethyl-4-chlorobenzimidazole
- 4-Chloro-1,2-dimethyl-1H-benzimidazole
- 4-chloro-1,2-dimethyl-1H-benzo[d]imidazole
- SCHEMBL3295739
- DTXSID301283494
- 34373-78-9
-
- Inchi： 1S/C9H9ClN2/c1-6-11-9-7(10)4-3-5-8(9)12(6)2/h3-5H,1-2H3
- InChI Key： LPEPTIVQQQBOGT-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C1N=C(C)N2C
Computed Properties
- Exact Mass: 180.04557
- Monoisotopic Mass: 180.0454260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 174
- 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: 2.5
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Benzimidazole,4-chloro-1,2-dimethyl- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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