AG003J0Z

861932-08-3 | 3-Bromo-4-(1-imidazolyl)benzaldehyde

AG003J0Z

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CAS Number	861932-08-3
Catalog Number	AG003J0Z(AGN-PC-09T3XG)
Chemical Name	3-Bromo-4-(1-imidazolyl)benzaldehyde
IUPAC Name	3-bromo-4-imidazol-1-ylbenzaldehyde
InChI	InChI=1S/C10H7BrN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-7H
InChI Key	MWRSHCXIXJNGGF-UHFFFAOYSA-N
MDL Number	MFCD11656797
Molecular Formula	C10H7BrN2O
Molecular Weight	251.0794
SMILES	O=CC1=CC=C(N2C=CN=C2)C(Br)=C1
Synonyms	3-BROMO-4-(1H-IMIDAZOL-1-YL)BENZALDEHYDE, 861932-08-3, 3-Bromo-4-(1-imidazolyl)benzaldehyde, SCHEMBL1610383, CTK7H9181, DTXSID50700189, MWRSHCXIXJNGGF-UHFFFAOYSA-N, KS-00000AZ1, 3-bromo-4-imidazol-1-ylbenzaldehyde, 5819AJ, KM2390, MFCD11656797, ZINC42684256, AKOS015950495, TRA0091662, 3-bromo-(4-imidazol-1-yl)benzaldehyde, AK-82358, DS-16594, SY004869, AB1000246, AJ-104483, DB-014308, TC-307386, CS-0000395, FT-0712064, Benzaldehyde,3-bromo-4-(1H-imidazol-1-yl)-, MFCD11656797 (95+%), 3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde, AldrichCPR, null, C10H7BrN2O, 61272-77-3,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.083g/mol
Monoisotopic Mass	249.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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