AG008HVE

845306-08-3 | tert-Butyl 5-bromopicolinate

AG008HVE

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CAS Number	845306-08-3
Catalog Number	AG008HVE(AGN-PC-04VH1J)
Chemical Name	tert-Butyl 5-bromopicolinate
IUPAC Name	tert-butyl 5-bromopyridine-2-carboxylate
InChI	InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)8-5-4-7(11)6-12-8/h4-6H,1-3H3
InChI Key	GBAJDPJECJPPSP-UHFFFAOYSA-N
MDL Number	MFCD08436052
Molecular Formula	C10H12BrNO2
Molecular Weight	258.1118
SMILES	C(=O)(OC(C)(C)C)c1ccc(cn1)Br
Synonyms	845306-08-3, tert-Butyl 5-bromopicolinate, tert-Butyl 5-bromopyridine-2-carboxylate, t-Butyl 5-bromopicolinate, 5-Bromo-pyridine-2-carboxylic acid tert-butyl ester, Tert-butyl 5-bromopyridine-2-carboxylate, 5-Bromo-pyridine-2-carboxylic acid t-butyl ester, 2-Pyridinecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester, tert-Butyl 5-bromopyridine-2-carboxylat, ACMC-209pva, SCHEMBL645688, CTK5F2580, DTXSID30648378, GBAJDPJECJPPSP-UHFFFAOYSA-N, ANW-37796, MFCD08436052, ZINC12471660, AKOS013211226, ACN-036901, QC-1473, RTR-026125, KS-00000P53, AJ-62328, AK-61956, SY026545, AB0008753, TR-026125, ST24050051, MFCD08436052 (95%), T-BUTYL 5-BROMO-2-PYRIDINECARBOXYLATE, B-4167, 1,1-Dimethylethyl 5-bromo-2-pyridinecarboxylate, 5-Bromopyridine-2-carboxylic acid t-butyl ester, 5-Bromopyridine-2-carboxylic acid tert-butyl ester, TERT-BUTYL 5-BROMOPYRIDINE-2-CARBOXYLATE 98, I14-24897, 2-Pyridinecarboxylicacid, 5-bromo-, 1,1-dimethylethyl ester, tert-Butyl5-bromopicolinate, C10H12BrNO2, CS-4261,

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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