AG00EQB2

623577-60-6 | 4-Bromo-1-(iso-propyl)-1H-imidazole

AG00EQB2

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CAS Number	623577-60-6
Catalog Number	AG00EQB2(AGN-PC-03L3JS)
Chemical Name	4-Bromo-1-(iso-propyl)-1H-imidazole
IUPAC Name	4-bromo-1-propan-2-ylimidazole
InChI	InChI=1S/C6H9BrN2/c1-5(2)9-3-6(7)8-4-9/h3-5H,1-2H3
InChI Key	FUKIENGJPGMFBT-UHFFFAOYSA-N
MDL Number	MFCD22372008
Molecular Formula	C6H9BrN2
Molecular Weight	189.0531
SMILES	CC(N1C=C(Br)N=C1)C
Synonyms	4-Bromo-1-isopropyl-1H-imidazole, 623577-60-6, 4-BROMO-1-(ISO-PROPYL)-1H-IMIDAZOLE, AK161499, 1H-Imidazole, 4-bromo-1-(1-methylethyl)-, 4-Bromo-1-isopropyl-imidazole, SCHEMBL4049344, 4-bromo-1-propan-2-ylimidazole, FUKIENGJPGMFBT-UHFFFAOYSA-N, ZX-RL003839, MFCD22372008, ZINC72193492, AKOS015945550, DS-7337, FCH1615513, OR302118, AJ-119468, AX8294420, CS-0036631, FT-0739600, ST24043317, 4-Bromo-1-(iso-propyl)-1H-imidazole, 95% - 1G 1g,

Complexity	95.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.995g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.056g/mol
Monoisotopic Mass	187.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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