AG00948T

Name: 3-Benzyl-1,3-benzodiazole-5-carboxylic acid
Brand: Angene Chemical
SKU: AG00948T

1191904-81-0 | 3-Benzyl-1,3-benzodiazole-5-carboxylic acid

AG00948T

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CAS Number	1191904-81-0
Catalog Number	AG00948T(AGN-PC-0WA83V)
Chemical Name	3-Benzyl-1,3-benzodiazole-5-carboxylic acid
IUPAC Name	3-benzylbenzimidazole-5-carboxylic acid
InChI	InChI=1S/C15H12N2O2/c18-15(19)12-6-7-13-14(8-12)17(10-16-13)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)
InChI Key	JGRUWQYKENZPPI-UHFFFAOYSA-N
MDL Number	MFCD15202087
Molecular Formula	C15H12N2O2
Molecular Weight	252.2680
SMILES	OC(=O)c1ccc2c(c1)n(cn2)Cc1ccccc1
Synonyms	3-Benzyl-1,3-benzodiazole-5-carboxylic acid, 1191904-81-0, SCHEMBL1608848, JGRUWQYKENZPPI-UHFFFAOYSA-N, ZINC58826483, AKOS020850438, 1-benzyl-1H-benzimidazole-6-carboxylic acid, Z8076, 1-benzyl-1H-1,3-benzodiazole-6-carboxylic acid, 3-benzyl-3H-benzo[d]imidazole-5-carboxylic acid, C15H12N2O2,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.09g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.273g/mol
Monoisotopic Mass	252.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited