AG005KDT

79326-88-8 | 5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde

AG005KDT

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CAS Number	79326-88-8
Catalog Number	AG005KDT(AGN-PC-0NK3TE)
Chemical Name	5-Bromo-1-methyl-1H-imidazole-2-carbaldehyde
IUPAC Name	5-bromo-1-methylimidazole-2-carbaldehyde
InChI	InChI=1S/C5H5BrN2O/c1-8-4(6)2-7-5(8)3-9/h2-3H,1H3
InChI Key	ZFUTWKQTEYLBKA-UHFFFAOYSA-N
MDL Number	MFCD09027273
Molecular Formula	C5H5BrN2O
Molecular Weight	189.0100
SMILES	O=CC1=NC=C(Br)N1C
Synonyms	5-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBALDEHYDE, 79326-88-8, 5-bromo-1-methylimidazole-2-carbaldehyde, 5-Bromo-1-methyl-1H-imidazole-2-carboxaldehyde, ACMC-1BH82, bromomethylimidazolecarbaldehyde, SCHEMBL3914396, CTK5E6688, DTXSID50508667, ZFUTWKQTEYLBKA-UHFFFAOYSA-N, KS-000005JQ, ZX-AT017949, ANW-37284, FCH921530, MFCD09027273, OR3629, SBB090870, ZINC12336688, AKOS005073193, KB-0739, RP11181, 5-Bromo-2-formyl-1-methyl-1H-imidazole, AJ-61063, AK-92497, CJ-13777, SC-49788, AX8182616, TX-012106, CS-0050644, FT-0681154, ST24029336, V7788, B-4630, 1H-Imidazole-2-carboxaldehyde,5-bromo-1-methyl-, J-516812, I14-24949, C5H5BrN2O,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.959g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.012g/mol
Monoisotopic Mass	187.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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