AG007JQC

279226-70-9 | 1-Methyl-1H-benzimidazole-5-carboxaldehyde

AG007JQC

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CAS Number	279226-70-9
Catalog Number	AG007JQC(AGN-PC-01MWA1)
Chemical Name	1-Methyl-1H-benzimidazole-5-carboxaldehyde
IUPAC Name	1-methylbenzimidazole-5-carbaldehyde
InChI	InChI=1S/C9H8N2O/c1-11-6-10-8-4-7(5-12)2-3-9(8)11/h2-6H,1H3
InChI Key	PZIDCZRIHGNHPD-UHFFFAOYSA-N
MDL Number	MFCD09261052
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	O=CC1=CC=C2C(N=CN2C)=C1
Synonyms	1-Methyl-1H-benzimidazole-5-carboxaldehyde, 279226-70-9, 1-methylbenzimidazole-5-carbaldehyde, 1-methyl-1H-1,3-benzodiazole-5-carbaldehyde, 1-methyl-1H-benzo[d]imidazole-5-carbaldehyde, 1-methyl-1h-benzimidazole-5-carbaldehyde, 1H-Benzimidazole-5-carboxaldehyde, 1-methyl-, 1H-Benzimidazole-5-carboxaldehyde,1-methyl-, SCHEMBL541566, CTK4G0462, KS-00000HCP, DTXSID20591546, PZIDCZRIHGNHPD-UHFFFAOYSA-N, ANW-49319, MFCD09261052, ZINC40448413, 1-methyl-5-benzimidazolecarboxaldehyde, 1-Methylbenzimidazole-5-carboxaldehyde, AKOS006238115, RP22348, AK-29077, AS-33245, BR-29077, CJ-20137, 1-methyl-1,3-benzodiazole-5-carbaldehyde, AB0023930, AJ-102707, TC-138064, 4CH-007862, FT-0645610, ST24027107, W5091, S-7436, A819247, I14-3083, J-504850, C9H8N2O,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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