Cas no 827042-63-7 (1H-benzimidaZole-2-carboxylic acid, 5-chloro-6-methyl- (9CI))
827042-63-7 structure
Product Name:1H-benzimidaZole-2-carboxylic acid, 5-chloro-6-methyl- (9CI)
CAS No:827042-63-7
MF:C9H7ClN2O2
MW:210.617080926895
CID:685863
PubChem ID:71417715
Update Time:2025-04-19
1H-benzimidaZole-2-carboxylic acid, 5-chloro-6-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-benzimidaZole-2-carboxylic acid, 5-chloro-6-methyl- (9CI)
- 1H-Benzimidazole-2-carboxylic acid, 5-chloro-6-methyl-
- 5-chloro-6-methyl-1H-benzimidazole-2-carboxylic acid
- 6-chloro-5-methyl-1H-Benzimidazole-2-carboxylic acid
- 5-Chloro-6-methyl-1H-benzo[d]imidazole-2-carboxylic acid
- 827042-63-7
- DTXSID00837050
- FT-0739962
-
- Inchi： 1S/C9H7ClN2O2/c1-4-2-6-7(3-5(4)10)12-8(11-6)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
- InChI Key： HOCBEPIKVSITJL-UHFFFAOYSA-N
- SMILES： ClC1=CC2=C(C=C1C)NC(C(=O)O)=N2
Computed Properties
- Exact Mass: 210.0196052g/mol
- Monoisotopic Mass: 210.0196052g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 249
- 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: 2.3
- Topological Polar Surface Area: 66?2
1H-benzimidaZole-2-carboxylic acid, 5-chloro-6-methyl- (9CI) Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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