AG000KFD

1233542-00-1 | 7-Bromo-1-methylbenzodiazole

AG000KFD

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CAS Number	1233542-00-1
Catalog Number	AG000KFD(AGN-PC-0WAC68)
Chemical Name	7-Bromo-1-methylbenzodiazole
IUPAC Name	7-bromo-1-methylbenzimidazole
InChI	InChI=1S/C8H7BrN2/c1-11-5-10-7-4-2-3-6(9)8(7)11/h2-5H,1H3
InChI Key	KZTGHKQWSQMAEZ-UHFFFAOYSA-N
MDL Number	MFCD23135915
Molecular Formula	C8H7BrN2
Molecular Weight	211.0586
SMILES	CN1C=NC2=CC=CC(Br)=C12
Synonyms	7-Bromo-1-methyl-1H-benzo[d]imidazole, 1233542-00-1, 7-Bromo-1-methylbenzodiazole, 1H-Benzimidazole, 7-bromo-1-methyl-, SCHEMBL9981015, MFCD23135915, ZINC76208383, 7-bromo-1-methyl-1H-1,3-benzodiazole, AK315669, AS-43588, SC-12763, Z8708, C8H7BrN2,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.979g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.062g/mol
Monoisotopic Mass	209.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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