AG003N2A

52386-11-5 | 4(1H)-Pyrimidinone, 6-amino-2-chloro- (9CI)

AG003N2A

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CAS Number	52386-11-5
Catalog Number	AG003N2A(AGN-PC-0NI9OV)
Chemical Name	4(1H)-Pyrimidinone, 6-amino-2-chloro- (9CI)
IUPAC Name	4-amino-2-chloro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H4ClN3O/c5-4-7-2(6)1-3(9)8-4/h1H,(H3,6,7,8,9)
InChI Key	CZOBFXHVXPTWPT-UHFFFAOYSA-N
MDL Number	MFCD11046964
Molecular Formula	C4H4ClN3O
Molecular Weight	145.5471
SMILES	O=C(C=C(N)N1)N=C1Cl
Synonyms	52386-11-5, 6-AMINO-2-CHLOROPYRIMIDIN-4-OL, 6-Amino-2-chloropyrimidin-4(3H)-one, 4(1H)-Pyrimidinone, 6-amino-2-chloro- (9CI), CTK8C2906, DTXSID10482777, KS-00000A6U, ANW-69255, MFCD11046964, ZINC39053153, AKOS006332743, AKOS016006047, AKOS028108853, 6-amino-2-chloropyrimidin-4(1H)-one, CS-W003759, DS-2529, MP-1886, AC-28227, AJ-97619, AK-35474, QC-10127, SY026678, AB0062040, ST2412168, TC-158000, 4CH-002084, FT-0647157, Z4827, 6-amino-2-chloro-1,4-dihydropyrimidin-4-one, 6-amino-2-chloro-3,4-dihydropyrimidin-4-one, 4(1H)-Pyrimidinone,6-amino-2-chloro-(9CI), MFCD11046965 (97+%), C4H4ClN3O, 4 -Pyrimidinone,6-amino-2-chloro-,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.004g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.546g/mol
Monoisotopic Mass	145.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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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