Cas no 210917-92-3 (1H-Benzimidazole-2-carboxylic acid, 5,6-dichloro-, methyl ester)
210917-92-3 structure
Product Name:1H-Benzimidazole-2-carboxylic acid, 5,6-dichloro-, methyl ester
CAS No:210917-92-3
MF:C9H6Cl2N2O2
MW:245.062139987946
CID:1402287
PubChem ID:86204309
Update Time:2025-04-20
1H-Benzimidazole-2-carboxylic acid, 5,6-dichloro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carboxylic acid, 5,6-dichloro-, methyl ester
- SY351954
- AT11079
- Methyl 5,6-Dichlorobenzimidazole-2-carboxylate
- 210917-92-3
- METHYL 5,6-DICHLORO-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLATE
-
- Inchi： 1S/C9H6Cl2N2O2/c1-15-9(14)8-12-6-2-4(10)5(11)3-7(6)13-8/h2-3H,1H3,(H,12,13)
- InChI Key： WRLLJZMOYDSNFX-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)NC(C(=O)OC)=N2)Cl
Computed Properties
- Exact Mass: 243.98078
- Monoisotopic Mass: 243.9806328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 2.9
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 54.98
1H-Benzimidazole-2-carboxylic acid, 5,6-dichloro-, methyl ester Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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