AG0001XN

10040-98-9 | Benzaldehyde, 4-(1H-imidazol-1-yl)-

AG0001XN

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CAS Number	10040-98-9
Catalog Number	AG0001XN(AGN-PC-0JVOF1)
Chemical Name	Benzaldehyde, 4-(1H-imidazol-1-yl)-
IUPAC Name	4-imidazol-1-ylbenzaldehyde
InChI	InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H
InChI Key	DCICUQFMCRPKHZ-UHFFFAOYSA-N
MDL Number	MFCD00209977
Molecular Formula	C10H8N2O
Molecular Weight	172.1833
SMILES	C(=O)c1ccc(cc1)n1ccnc1
Synonyms	4-(1H-Imidazol-1-yl)benzaldehyde, 10040-98-9, 4-Imidazol-1-yl-benzaldehyde, 4-(1-imidazolyl)benzaldehyde, 4-imidazol-1-ylbenzaldehyde, 1-(4-formylphenyl)imidazole, 1-(4-Formylphenyl)-1H-imidazole, 4-(1h-imidazol-1-yl)-benzaldehyde, 4-(IMIDAZOL-1-YL)BENZALDEHYDE, Benzaldehyde, 4-(1H-imidazol-1-yl)-, 4-(1H-Imidazol-1-yl)benzenecarbaldehyde, 1-(1H-Imidazol-1-yl)benzaldehyde, p-(1-imidazolyl)benzaldehyde, PubChem7223, zlchem 1184, ACMC-1BUXP, AC1LEIC1, AC1Q6PTI, AC1Q6Q6D, KSC495C5B, SCHEMBL209879, 1-(4'-formylphenyl) imidazole, Jsp000111, 4-(imidazole-1-yl)benzaldehyde, CTK3J5150, DTXSID50353058, ZLD0653, DCICUQFMCRPKHZ-UHFFFAOYSA-N, ZINC158890, 4-(1H-imidazol 1-yl)benzaldehyde, KS-00000AY2, 4-(lH-imidazol-1-yl)-benzaldehyde, ANW-14275, CF-881, GEO-01579, MFCD00209977, SBB052156, AKOS000260158, ACN-001049, CS-W000827, MCULE-3671247906, QC-4526, RP02713, RTR-000163, TRA-0184379, AJ-15391, AK-16206, AN-13559, BR-16206, CJ-01845, SC-00032, SY003052, ZB007122, 4-(1H-Imidazol-1-yl)benzaldehyde, 98%, AB0064223, DB-001908, ST2411477, TR-000163, AM20020069, FT-0616790, I0818, C-4088, MFCD00209977 (97+%), 040I989, 3T-0287, I01-2831, J-640092, J-800095, W-200065, InChI=1/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8, 2-Mercaptothiophene, 4-IMIDAZOLYLBENZALDEHYDE, AR-1K9542, CID736530, ZINC00158890, 4-(1H-Imidazol-1-yl)benzaldehyde, 97% - 1G 1g, 70460-60-5,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.064g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.187g/mol
Monoisotopic Mass	172.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number