AG000RBV

1260807-49-5 | 2-Pyridinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester

AG000RBV

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CAS Number	1260807-49-5
Catalog Number	AG000RBV(AGN-PC-0WCYYV)
Chemical Name	2-Pyridinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-bromopyridine-2-carboxylate
InChI	InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)8-7(11)5-4-6-12-8/h4-6H,1-3H3
InChI Key	BQXZWVWSJGWASF-UHFFFAOYSA-N
MDL Number	MFCD09264589
Molecular Formula	C10H12BrNO2
Molecular Weight	258.1118
SMILES	O=C(OC(C)(C)C)C1=NC=CC=C1Br
Synonyms	TERT-BUTYL 3-BROMOPICOLINATE, 1260807-49-5, KS-00000LII, MFCD09264589, ZINC228848855, tert-butyl 3-bromopyridine-2-carboxylate, AK351871, DS-12537, SC-34988, 2-Pyridinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.005g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.115g/mol
Monoisotopic Mass	257.005g/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	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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