AG000GL2

115309-57-4 | 6-Chloronicotinic acid tert-butyl ester

AG000GL2

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CAS Number	115309-57-4
Catalog Number	AG000GL2(AGN-PC-00ASOB)
Chemical Name	6-Chloronicotinic acid tert-butyl ester
IUPAC Name	tert-butyl 6-chloropyridine-3-carboxylate
InChI	InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
InChI Key	OFRLMTIBUAXBGV-UHFFFAOYSA-N
MDL Number	MFCD08277247
Molecular Formula	C10H12ClNO2
Molecular Weight	213.6608
SMILES	O=C(OC(C)(C)C)C1=CN=C(Cl)C=C1
Synonyms	tert-Butyl 6-chloronicotinate, 115309-57-4, Tert-butyl 6-chloropyridine-3-carboxylate, 6-CHLORONICOTINIC ACID TERT-BUTYL ESTER, 3-Pyridinecarboxylic acid, 6-chloro-, 1,1-dimethylethyl ester, t-butyl 6chloronicotinate, t-butyl 6-chloronicotinate, SCHEMBL2571730, CTK4A9279, DTXSID60467973, OFRLMTIBUAXBGV-UHFFFAOYSA-N, ZINC8698112, 2508AA, 6-Chloronicotinic acid t-Butyl ester, ANW-61451, MFCD08277247, AKOS013152831, HE-0017, MCULE-6884156262, VZ33762, KS-000026L2, 6-chloro-nicotinic acid tert-butly ester, 6-Chloro-nicotinic acid tert-butyl ester, AJ-57941, AK-41232, AN-33213, SC-33173, tert-butyl 2-chloro-5-pyridinecarboxylate, TC-150196, Z-8212, 277C247, I02-2411, tert-Butyl6-chloronicotinate, C10H12ClNO2, ACN-040564, CID11521348,

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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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