AG00C6WX

37131-91-2 | 6-Chloro-4-pyrimidinecarboxylic acid

AG00C6WX

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CAS Number	37131-91-2
Catalog Number	AG00C6WX(AGN-PC-013MTX)
Chemical Name	6-Chloro-4-pyrimidinecarboxylic acid
IUPAC Name	6-chloropyrimidine-4-carboxylic acid
InChI	InChI=1S/C5H3ClN2O2/c6-4-1-3(5(9)10)7-2-8-4/h1-2H,(H,9,10)
InChI Key	RWSPRTBXAXZIOS-UHFFFAOYSA-N
MDL Number	MFCD08692928
Molecular Formula	C5H3ClN2O2
Molecular Weight	158.5425
SMILES	OC(=O)C1=NC=NC(Cl)=C1
Synonyms	37131-91-2, 6-chloropyrimidine-4-carboxylic acid, 6-CHLORO-4-PYRIMIDINECARBOXYLIC ACID, 4-Pyrimidinecarboxylic acid, 6-chloro-, PubChem23631, 4-carboxy-6-chloropyrimidine, SCHEMBL3034461, CTK1C1206, DTXSID20586250, RWSPRTBXAXZIOS-UHFFFAOYSA-N, ACN-P000907, ANW-45686, BBL103900, MFCD08692928, STL557710, ZINC38531948, 4-Pyrimidinecarboxylicacid, 6-chloro-, AKOS000277010, AB48398, CS-W005983, QC-5612, RP22217, AJ-95590, AK-29233, BC652478, BR-29233, DS-11046, SC-49343, AB0024529, DB-069499, ST1141072, TR-015116, 4-CHLOROPYRIMIDINE-6-CARBOXYLIC ACID, 4CH-001596, AM20090597, FT-0649641, W5819, S-6946, J-518577, C5H3ClN2O2, ACN-000907,

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	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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