AG003NDY

573675-29-3 | 7-Bromopyrido[3,2-d]pyrimidin-4(3H)-one

AG003NDY

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CAS Number	573675-29-3
Catalog Number	AG003NDY(AGN-PC-0OCJFH)
Chemical Name	7-Bromopyrido[3,2-d]pyrimidin-4(3H)-one
IUPAC Name	7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
InChI	InChI=1S/C7H4BrN3O/c8-4-1-5-6(9-2-4)7(12)11-3-10-5/h1-3H,(H,10,11,12)
InChI Key	NGLZIMDUQCALAS-UHFFFAOYSA-N
MDL Number	MFCD12400764
Molecular Formula	C7H4BrN3O
Molecular Weight	226.0302
SMILES	O=C1C2=NC=C(Br)C=C2N=CN1
Synonyms	7-bromopyrido[3,2-d]pyrimidin-4(3H)-one, 573675-29-3, 7-Bromopyrido[3,2-d]pyrimidin-4-ol, 157736-80-6, 7-Bromo-3H-pyrido[3,2-d]pyrimidin-4-one, PubChem17849, ACMC-209dgy, ACMC-209lxj, AC1Q79B8, SCHEMBL4978434, CTK5A6733, CTK5I8966, NGLZIMDUQCALAS-UHFFFAOYSA-N, ABBYPHARMA AP-13-10863, ANW-21728, ANW-32693, FD7029, MFCD12755861, ZINC44136787, AKOS015835465, AKOS015835467, FCH1343196, LS40856, PB26818, RP27549, KS-00000I17, AK-49937, BC004298, DS-15174, QC-11593, AJ-109307, AX8163098, DB-072290, TR-037138, 4CH-001131, FT-0681927, V3554, Y6662, EN300-160042, Q-2214, 7-Bromopyrido[3,2-d]pyrimidin-4-ol, AldrichCPR, I03-951, J-519173, C7H4BrN3O, 7-bromo-3H,4H-pyrido[3,2-d]pyrimidin-4-one, N/A,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.033g/mol
Monoisotopic Mass	224.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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