AG00DKSE

4349-08-0 | 4(1H)-Pyrimidinone, 5-chloro- (9CI)

AG00DKSE

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CAS Number	4349-08-0
Catalog Number	AG00DKSE(AGN-PC-0OAEYY)
Chemical Name	4(1H)-Pyrimidinone, 5-chloro- (9CI)
IUPAC Name	5-chloro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H3ClN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChI Key	JPSKJAPKTIXPSV-UHFFFAOYSA-N
MDL Number	MFCD09750156
Molecular Formula	C4H3ClN2O
Molecular Weight	130.5324
SMILES	ClC1=CN=CN=C1O
Synonyms	5-chloropyrimidin-4-ol, 4349-08-0, 4(1H)-Pyrimidinone,5-Chloro-(9CI), 5-CHLORO-4-HYDROXYPYRIMIDINE, 4(1H)-Pyrimidinone, 5-chloro- (9CI), AC1MM91F, 5-chloro-1H-pyrimidin-6-one, SCHEMBL2421685, 4(1H)-Pyrimidinone,5-chloro-, CTK8B5888, DTXSID10390722, 4(1H)-Pyrimidinone, 5-chloro-, KS-000010GS, ZINC3209701, ANW-50863, MFCD09750156, 5-Chloro-3,4-dihydropyrimidin-4-one, AKOS006327323, AKOS025213457, PB14718, RP19940, AJ-44768, AK-28090, BR-28090, AB0024915, AX8329563, DB-070437, ST2411978, TR-016853, 4CH-001569, CS-0045762, FT-0650234, W6278, S-4592, J-517413, 4-Bromo-5-chloropyrimidine, C4H3ClN2O, 4 -Pyrimidinone,5-chloro-, 5-chloro-3H-pyrimidin-4-one, 5-Chloropyrimidin-4(3H)-one, CID3257268, GS-5816, 1261628-82-3,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.993g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.531g/mol
Monoisotopic Mass	129.993g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^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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