AG000PAJ

1196151-51-5 | 2-Pyrimidinecarboxylic acid, 5-fluoro-

AG000PAJ

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CAS Number	1196151-51-5
Catalog Number	AG000PAJ(AGN-PC-0H0HGM)
Chemical Name	2-Pyrimidinecarboxylic acid, 5-fluoro-
IUPAC Name	5-fluoropyrimidine-2-carboxylic acid
InChI	InChI=1S/C5H3FN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,(H,9,10)
InChI Key	BRHVWYOCJKRZBG-UHFFFAOYSA-N
MDL Number	MFCD13189599
Molecular Formula	C5H3FN2O2
Molecular Weight	142.0879
SMILES	O=C(C1=NC=C(F)C=N1)O
Synonyms	5-Fluoropyrimidine-2-carboxylic acid, 1196151-51-5, 2-Pyrimidinecarboxylic acid, 5-fluoro-, AK-82030, SCHEMBL10328694, CTK8B8564, DTXSID50735178, 3368AA, 5-fluoro-2-Pyrimidinecarboxylic acid, ANW-60704, MFCD13189599, ZINC85219504, AKOS015995480, FCH1136757, PB31127, QC-7151, KS-0000071R, DS-16476, AJ-126827, AX8232197, ST1141060, TC-149449, CS-0050474, Q-3716, F2147-5291, C5H3FN2O2,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.018g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.089g/mol
Monoisotopic Mass	142.018g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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