AG000BNO

116106-16-2 | 1H-Benzimidazole, 6-bromo-5-methyl-

AG000BNO

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CAS Number	116106-16-2
Catalog Number	AG000BNO(AGN-PC-02ZO1Q)
Chemical Name	1H-Benzimidazole, 6-bromo-5-methyl-
IUPAC Name	5-bromo-6-methyl-1H-benzimidazole
InChI	InChI=1S/C8H7BrN2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4H,1H3,(H,10,11)
InChI Key	ZQHHVSZEBVWTRO-UHFFFAOYSA-N
MDL Number	MFCD11846340
Molecular Formula	C8H7BrN2
Molecular Weight	211.0586
SMILES	CC1=C(Br)C=C2C(NC=N2)=C1
Synonyms	5-bromo-6-methyl-1H-benzo[d]imidazole, 116106-16-2, 5-BROMO-6-METHYL-1H-BENZIMIDAZOLE, 1H-Benzimidazole, 6-bromo-5-methyl-, 5-bromo-6-methyl-1H-1,3-benzodiazole, SCHEMBL3050263, SCHEMBL13373332, KS-00000QZX, DTXSID70609786, ZQHHVSZEBVWTRO-UHFFFAOYSA-N, 2658AA, MFCD11846340, QC-114, ZINC62152741, AKOS016000449, CS-W006990, DS-5411, AK118837, AM802995, AN-33093, SC-51667, AJ-114103, ST2406146, 4CH-017962, FT-0686318, L-1301, 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	1
Isotope Atom Count	0
Molecular Weight	211.062g/mol
Monoisotopic Mass	209.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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