AG00BXMB

3314-30-5 | 1H-Benzimidazole-2-carboxaldehyde

AG00BXMB

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CAS Number	3314-30-5
Catalog Number	AG00BXMB(AGN-PC-0JLQAI)
Chemical Name	1H-Benzimidazole-2-carboxaldehyde
EC Number	222-004-3
IUPAC Name	1H-benzimidazole-2-carbaldehyde
InChI	InChI=1S/C8H6N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,9,10)
InChI Key	DQOSJWYZDQIMGM-UHFFFAOYSA-N
MDL Number	MFCD00228045
Molecular Formula	C8H6N2O
Molecular Weight	146.1460
SMILES	O=CC1=NC2=CC=CC=C2N1
Synonyms	3314-30-5, 1h-benzo[d]imidazole-2-carbaldehyde, 1H-Benzimidazole-2-carboxaldehyde, 1H-Benzoimidazole-2-carboxaldehyde, 1H-Benzimidazole-2-carbaldehyde, Benzimidazole-2-carbaldehyde, 2-Formylbenzimidazole, 2-Benzimidazolecarboxaldehyde, 1h-1,3-benzodiazole-2-carbaldehyde, 1H-Benzoimidazole-2-carbaldehyde, DQOSJWYZDQIMGM-UHFFFAOYSA-N, 1H-Benzo(d)imidazole-2-carbaldehyde, MFCD00228045, 1h-benzimidazol-2-carbaldehyd, azaindole aldehyde, NSC26309, EINECS 222-004-3, zlchem 106, PubChem7591, 2-Formyl-1H-benzimidazole, AC1L2RR9, AC1Q6QF2, SCHEMBL376644, SCHEMBL3279092, SCHEMBL9541649, CHEBI:36636, CTK1C2262, ZINC39036, DTXSID40186791, ZLB0095, 1H-Benzimidazole-2-carbaldehyde #, ACT02004, ALBB-012175, BCP26408, ANW-47544, BBL028429, HTS004752, NSC-26309, NSC405912, RW2971, SBB000095, STK402277, 1H-1,3-benzimidazole-2-carbaldehyde, AKOS001732208, AB04996, BS-3819, CS-W004873, MCULE-3194382090, NSC-405912, QC-2612, RP01483, RTR-033237, AJ-08809, AK-25780, AM807094, BP-11203, BR-25780, SC-03537, ST055524, SY025423, U939, ZB001075, AB0019566, AB1007577, DB-008059, ST2415490, TL8002501, TR-033237, 4CH-014600, A5916, BB 0237076, FT-0084559, FT-0601180, MFCD00228045 (97%), S-3774, 314B305, J-504653, S14-0651, F0852-0139, A2679/0114161, C8H6N2O, C8-H6-N2-O, CID76826, AR-1C3267, ACN-035987, 1H-Benzimidazole-2-carboxaldehyde (9CI), C2076, 34138-26-6,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.149g/mol
Monoisotopic Mass	146.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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