AG00EJWC

64224-65-3 | 5-chloropyrimidine-4-carboxylic acid

AG00EJWC

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CAS Number	64224-65-3
Catalog Number	AG00EJWC(AGN-PC-02RAC1)
Chemical Name	5-chloropyrimidine-4-carboxylic acid
IUPAC Name	5-chloropyrimidine-4-carboxylic acid
InChI	InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
InChI Key	AXGQUUGCTSWSMC-UHFFFAOYSA-N
MDL Number	MFCD09754103
Molecular Formula	C5H3ClN2O2
Molecular Weight	158.5425
SMILES	O=C(C1=NC=NC=C1Cl)O
Synonyms	5-Chloropyrimidine-4-carboxylic acid, 64224-65-3, 4-Pyrimidinecarboxylic acid, 5-chloro-, 5-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID, 5-Chloro-4-pyrimidinecarboxylic acid, 4-Carboxy-5-chloropyrimidine, 5-chloro-4-carboxypyrimidine, SCHEMBL9278316, DTXSID80601812, AXGQUUGCTSWSMC-UHFFFAOYSA-N, MFCD09754103, ZINC11804329, AKOS006326500, HP22043, MCULE-4284259761, RP02050, AC-29577, AJ-60190, AK151299, SC-52494, BB 0257032, Y9704, Z-6213, J-517416, F2124-1097, Z1357823928, C5H3ClN2O2, 5-Chloranylpyrimidine-4-Carboxylic Acid, C2277,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.988g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.541g/mol
Monoisotopic Mass	157.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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