AG0039R8

55873-09-1 | 2-Chloro-4(3H)-pyrimidinone

AG0039R8

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CAS Number	55873-09-1
Catalog Number	AG0039R8(AGN-PC-00NJUL)
Chemical Name	2-Chloro-4(3H)-pyrimidinone
IUPAC Name	2-chloro-1H-pyrimidin-6-one
InChI	InChI=1S/C4H3ClN2O/c5-4-6-2-1-3(8)7-4/h1-2H,(H,6,7,8)
InChI Key	FETSYNXZMUAONO-UHFFFAOYSA-N
MDL Number	MFCD09038284
Molecular Formula	C4H3ClN2O
Molecular Weight	130.5324
SMILES	ClC1=NC=CC(N1)=O
Synonyms	55873-09-1, 2-Chloropyrimidin-4-ol, 2-CHLORO-4-HYDROXYPYRIMIDINE, 2-Chloropyrimidin-4(3H)-one, zlchem 999, Chlor- 6-Oxypyrimidin, PubChem19316, SCHEMBL83773, 2-chloro-1H-pyrimidin-6-one, 2-Chloro-4(3H)-pyrimidinone, 2-chloropyrimidin-4(1H)-one, CTK8A0603, CTK8J2992, DTXSID20546511, ZLD0465, KS-000009BX, ANW-72143, MFCD09038284, ZINC34122619, AKOS011623097, CS-W019681, TRA0032756, AC-25590, AJ-87068, AK-54507, DS-14487, SY019878, AB0066354, ST2404374, TX-016368, 4CH-017095, Z-4559, MFCD09038284 (97+%), I03-0445, 4(3H)-Pyrimidinone, 2-chloro-, 1-(4-Methylenepiperidin-1-yl)ethanone, 4(1H)-Pyrimidinone, 2-chloro- (9CI), 10387-13-0,

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	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number