AG001M1K

149849-94-5 | 4-Pyrimidinecarboxylic acid, 2-chloro-, methyl ester

AG001M1K

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CAS Number	149849-94-5
Catalog Number	AG001M1K(AGN-PC-06V8JJ)
Chemical Name	4-Pyrimidinecarboxylic acid, 2-chloro-, methyl ester
IUPAC Name	methyl 2-chloropyrimidine-4-carboxylate
InChI	InChI=1S/C6H5ClN2O2/c1-11-5(10)4-2-3-8-6(7)9-4/h2-3H,1H3
InChI Key	GGTNGWOGJHJQCL-UHFFFAOYSA-N
MDL Number	MFCD11841080
Molecular Formula	C6H5ClN2O2
Molecular Weight	172.5691
SMILES	C(=O)(OC)c1nc(Cl)ncc1
Synonyms	Methyl 2-chloropyrimidine-4-carboxylate, 149849-94-5, 4-Pyrimidinecarboxylic acid, 2-chloro-, methyl ester, 2-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER, AK-33388, 2-Chloropyrimidine-4-carboxylic acid methyl ester, 4-Pyrimidinecarboxylicacid, 2-chloro-, methyl ester, W-205697, 2-CHLORO-4-PYRIMIDINECARBOXYLIC ACID METHYL ESTER, SCHEMBL319128, ACMC-209z05, CTK4C6395, DTXSID30656458, GGTNGWOGJHJQCL-UHFFFAOYSA-N, ZX-AT004954, ANW-49635, BBL102196, FCH921791, MFCD11841080, SBB088698, STL555995, ZINC34936285, AKOS006346745, 2-Chloro-4-(methoxycarbonyl)pyrimidine, CS-W009002, OR45090, PB23898, PS-5171, QC-5729, RP02748, KS-000004X8, AC-25664, AJ-90433, BR-33388, CJ-18610, EN000167, HC210425, SC-71292, AB0022416, AX8158671, ST1141083, TC-138380, 4CH-001456, FT-0646922, W3275, S-5903, I14-91981, 2-Chloropyrimidine-4-carboxylic acid methyl ester, 95%, 2-Chloro-pyrimidine-4-carboxylic acid methyl ester, AldrichCPR, C6H5ClN2O2, ACN-026657, C2124, 2-Chloro-pyrimidine-4-carboxylic acid methyl ester, 98% - 1G 1g,

Complexity	154
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	0
Isotope Atom Count	0
Molecular Weight	172.568g/mol
Monoisotopic Mass	172.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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