AG0036TA

933702-81-9 | 4-chloro-2-methylpyrimidine-5-carboxylic acid

AG0036TA

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CAS Number	933702-81-9
Catalog Number	AG0036TA(AGN-PC-03UNB4)
Chemical Name	4-chloro-2-methylpyrimidine-5-carboxylic acid
IUPAC Name	4-chloro-2-methylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H5ClN2O2/c1-3-8-2-4(6(10)11)5(7)9-3/h2H,1H3,(H,10,11)
InChI Key	XPYWNHCFAFXDLF-UHFFFAOYSA-N
MDL Number	MFCD10000835
Molecular Formula	C6H5ClN2O2
Molecular Weight	172.5691
SMILES	ClC1=NC(=NC=C1C(=O)O)C
Synonyms	4-chloro-2-methylpyrimidine-5-carboxylic acid, 933702-81-9, SCHEMBL4274478, CTK5H2379, DTXSID20627511, BCP27178, 5812AC, ANW-52744, CC-086, FCH880306, MFCD10000835, ZINC64034229, AKOS005145976, AB56016, CS-W022142, 4-chloro-2-methyl-5-pyrimidinecarboxylic, AK-50914, AJ-114762, AX8162612, DB-026205, TC-061889, AM20120347, FT-0739415, ST24029005, 4-chloro-2-methyl-5-pyrimidinecarboxylic acid, I03-0464, C6H5ClN2O2, 7-benzyl-2,7-diazaspiro[4.5]decane, A15104, A15918, 4-CHLORO-2-METHYLPYRIMIDINE-5-CARBOXYLICACID, 1086395-18-7,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.004g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.568g/mol
Monoisotopic Mass	172.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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