AG00GALU

84712-08-3 | 5-Bromo-1-methyl-3H-1,3-benzodiazol-2-one

AG00GALU

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CAS Number	84712-08-3
Catalog Number	AG00GALU(AGN-PC-00KVL1)
Chemical Name	5-Bromo-1-methyl-3H-1,3-benzodiazol-2-one
IUPAC Name	6-bromo-3-methyl-1H-benzimidazol-2-one
InChI	InChI=1S/C8H7BrN2O/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)
InChI Key	YNULJBICDDCLTN-UHFFFAOYSA-N
MDL Number	MFCD00504782
Molecular Formula	C8H7BrN2O
Molecular Weight	227.0580
SMILES	O=C1N(C)C2=CC=C(Br)C=C2N1
Synonyms	84712-08-3, 5-Bromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one, 5-bromo-1-methyl-1H-benzo[d]imidazol-2(3H)-one, SCHEMBL625508, 5-bromo-1-methyl-1,3-dihydro-2H-benzimidazol-2-one, YNULJBICDDCLTN-UHFFFAOYSA-N, MFCD00504782, ZINC32500765, AKOS022188155, AKOS023787001, 6-bromo-3-methyl-1H-benzimidazol-2-one, AJ-85353, AK148228, AS-35873, AX8285590, 5-Bromo-1-methyl-3H-1,3-benzodiazol-2-one,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.061g/mol
Monoisotopic Mass	225.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number