Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate - CAS 1354756-15-2

Catalog:	BB075947
Product Name:	Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate
CAS:	1354756-15-2
Synonyms:	Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate; methyl 7-chloro-3H-benzimidazole-5-carboxylate; methyl 7-chloro-1H-benzimidazole-5-carboxylate; Methyl7-chloro-1H-1,3-benzodiazole-5-carboxylate; 7-Chloro-1H-benzoimidazole-5-carboxylic acid methyl ester; 7-Chloro-3H-benzoimidazole-5-carboxylic acid methyl ester

Technical Data

IUPAC Name:	methyl 7-chloro-3H-benzimidazole-5-carboxylate
Description:	Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate
Molecular Weight:	210.61
Molecular Formula:	C9H7ClN2O2
Canonical SMILES:	COC(=O)C1=CC2=C(C(=C1)Cl)N=CN2
InChI:	InChI=1S/C9H7ClN2O2/c1-14-9(13)5-2-6(10)8-7(3-5)11-4-12-8/h2-4H,1H3,(H,11,12)
InChI Key:	RBSAMLGMBYUZEN-UHFFFAOYSA-N

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0196052
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	55Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2