AG0067EL

941294-58-2 | tert-Butyl 6-bromonicotinate

AG0067EL

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CAS Number	941294-58-2
Catalog Number	AG0067EL(AGN-PC-0570BQ)
Chemical Name	tert-Butyl 6-bromonicotinate
IUPAC Name	tert-butyl 6-bromopyridine-3-carboxylate
InChI	InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-4-5-8(11)12-6-7/h4-6H,1-3H3
InChI Key	RTRMFSKLFAYIDW-UHFFFAOYSA-N
MDL Number	MFCD09264580
Molecular Formula	C10H12BrNO2
Molecular Weight	258.1118
SMILES	BrC1=NC=C(C(=O)OC(C)(C)C)C=C1
Synonyms	tert-Butyl 6-bromonicotinate, 941294-58-2, tert-butyl 6-bromopyridine-3-carboxylate, (tert-Butyl) 6-bromopyridine-3-carboxylate, (tert-Butyl) 6-bromonicotinate, 6-Bromo-nicotinic acid tert-butyl ester, ACMC-209rqb, (tert-Butyl) 6-bromonicotinat, SCHEMBL1462391, CTK5H5215, DTXSID70650016, RTRMFSKLFAYIDW-UHFFFAOYSA-N, KS-000029XP, ANW-40209, MFCD09264580, ZINC15021227, AKOS014514231, 6-Bromonicotinic acid tert-butyl ester, PS-3460, QC-9785, RL05915, RTR-029454, AJ-66902, AN-26155, SC-14233, SC-35108, AB0081504, AB1009155, DB-079787, tert-butyl 6-bromanylpyridine-3-carboxylate, TR-029454, FT-0767060, V9386, B-4115, Z-8336, 294B582, 6-bromo-3-pyridinecarboxylic acid tert-butyl ester, A844838, J-524756, 5-t-BOC-amino-2H-1,2,4-triazole-3-carboxylic acid, 3-Pyridinecarboxylic acid, 6-bromo-, 1,1-dimethylethyl ester, 941316-89-8, t-Butyl 2-bromo-5-pyridine carboxylate; tert-Butyl 6-bromo-3-pyridinecarboxylate; 6-Bromopyridin-3-carboxylic acid tert-butyl ester, tert-Butyl6-bromonicotinate, C10H12BrNO2,

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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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