AG00EIEC

57573-59-8 | 6-Bromo-3-methylquinazolin-4(3H)-one

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CAS Number	57573-59-8
Catalog Number	AG00EIEC(AGN-PC-0WABUB)
Chemical Name	6-Bromo-3-methylquinazolin-4(3H)-one
IUPAC Name	6-bromo-3-methylquinazolin-4-one
InChI	InChI=1S/C9H7BrN2O/c1-12-5-11-8-3-2-6(10)4-7(8)9(12)13/h2-5H,1H3
InChI Key	MCSVSXROESVYLR-UHFFFAOYSA-N
MDL Number	MFCD00195328
Molecular Formula	C9H7BrN2O
Molecular Weight	239.0687
SMILES	O=C1N(C)C=NC2=C1C=C(Br)C=C2
Synonyms	6-Bromo-3-methylquinazolin-4(3H)-one, 57573-59-8, 6-Bromo-3-methyl-3H-quinazolin-4-one, 6-BROMO-3-METHYL-4-QUINAZOLINONE, 6-bromo-3-methylquinazolin-4-one, 6-bromo-3-methyl-3,4-dihydroquinazolin-4-one, AC1N6KPD, ACMC-209lz4, AC1Q3Z1U, SCHEMBL422211, CTK5A7085, DTXSID90400934, MCSVSXROESVYLR-UHFFFAOYSA-N, ZINC392363, ANW-32750, MFCD00195328, AKOS008606375, MCULE-4981643064, QC-5127, RP28359, 6-bromo-3-methyl-4(3H)-quinazolinone, AJ-21234, AM804072, AS-36705, 4(3H)-Quinazolinone, 6-bromo-3-methyl-, DB-072342, TR-020091, FT-0716071, TL80090357, V6724, W-2839, I08-577, J-518377, C9H7BrN2O, 6-bromo-3-methyl-quinazolin-4-one, CID4216977,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.072g/mol
Monoisotopic Mass	237.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.7A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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