AG002MSS

232951-83-6 | 3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester

AG002MSS

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CAS Number	232951-83-6
Catalog Number	AG002MSS(AGN-PC-0NHGOV)
Chemical Name	3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-chloropyridine-3-carboxylate
InChI	InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-5-4-6-12-8(7)11/h4-6H,1-3H3
InChI Key	BKRYJISKTILWAE-UHFFFAOYSA-N
MDL Number	MFCD18434485
Molecular Formula	C10H12ClNO2
Molecular Weight	213.6608
SMILES	O=C(OC(C)(C)C)C1=C(Cl)N=CC=C1
Synonyms	TERT-BUTYL 2-CHLORONICOTINATE, 232951-83-6, Tert-butyl 2-chloropyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester, 2-Chloro-nicotinic acid tert-butyl ester, ACMC-209g2g, t-Butyl 2-chloronicotinate, SCHEMBL2659360, CTK8B1257, DTXSID20458342, BKRYJISKTILWAE-UHFFFAOYSA-N, ANW-25094, MFCD18434485, ZINC38350994, AKOS013152472, AJ-95209, AS-44103, AB0183726, TC-113839, ST24025850, V4554, A-3426, 2-Chloro-3-pyridinecarboxylic acid tert-butyl ester, I14-25220, tert-Butyl2-chloronicotinate, C10H12ClNO2, CID11195236,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.056g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.661g/mol
Monoisotopic Mass	213.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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