AG0045VN

885277-56-5 | 2-Amino-7-bromo-3H-quinazolin-4-one

AG0045VN

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CAS Number	885277-56-5
Catalog Number	AG0045VN(AGN-PC-093R1C)
Chemical Name	2-Amino-7-bromo-3H-quinazolin-4-one
IUPAC Name	2-amino-7-bromo-3H-quinazolin-4-one
InChI	InChI=1S/C8H6BrN3O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChI Key	ZEZJZZPBSKSEOQ-UHFFFAOYSA-N
MDL Number	MFCD06738734
Molecular Formula	C8H6BrN3O
Molecular Weight	240.0567
SMILES	O=C1NC(N)=NC2=C1C=CC(Br)=C2
Synonyms	885277-56-5, 2-AMINO-7-BROMO-3H-QUINAZOLIN-4-ONE, 2-Amino-7-bromoquinazolin-4(3H)-one, 2-amino-7-bromoquinazolin-4-ol, 2-AMINO-7-BROMO-1H-QUINAZOLIN-4-ONE, SCHEMBL1029334, CTK8E3737, CTK8F4090, DTXSID60680004, ZEZJZZPBSKSEOQ-UHFFFAOYSA-N, 2-Amino-7-bromo-quinazolin-4-ol, 4240AC, MFCD06738734, ZINC66354405, AKOS016009826, 2-Amino-7-bromoquinazolin-4(1H)-one, AB27769, CM10365, FCH1347833, AC-28233, AS-39940, AJ-116728, DB-077720, FT-0748418, A-7198, Q88565, 2-Amino-7-bromo-3H-quinazolin-4-one, AldrichCPR, S14-2126, C8H6BrN3O, N/A,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	240.06g/mol
Monoisotopic Mass	238.969g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number