AG0089G6

885275-14-9 | tert-Butyl N-(4-bromopyridin-3-yl)carbamate

AG0089G6

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CAS Number	885275-14-9
Catalog Number	AG0089G6(AGN-PC-07CNA4)
Chemical Name	tert-Butyl N-(4-bromopyridin-3-yl)carbamate
IUPAC Name	tert-butyl N-(4-bromopyridin-3-yl)carbamate
InChI	InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11/h4-6H,1-3H3,(H,13,14)
InChI Key	ZYPYNFATVZIZSX-UHFFFAOYSA-N
MDL Number	MFCD05664029
Molecular Formula	C10H13BrN2O2
Molecular Weight	273.1264
SMILES	O=C(OC(C)(C)C)NC1=C(Br)C=CN=C1
Synonyms	3-Boc-Amino-4-bromopyridine, 885275-14-9, 3-Bocamino-4-bromopyridine, tert-Butyl (4-bromopyridin-3-yl)carbamate, tert-Butyl N-(4-bromopyridin-3-yl)carbamate, tert-butyl 4-bromopyridin-3-ylcarbamate, AK-30961, ACMC-209qu5, CTK3E6828, DTXSID30670376, KS-00000JV5, ANW-39051, MFCD05664029, ZINC44136956, AKOS015919954, AB22241, DS-0979, FCH1624203, RP29674, BR-30961, EN001931, SC-33042, AB0027281, AJ-109346, AX8025503, DB-077626, RT-008584, ST2417490, FT-0705799, W9098, S-4797, J-524364, (4-BROMO-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER, Carbamic acid, N-(4-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester, C10H13BrN2O2,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.016g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.13g/mol
Monoisotopic Mass	272.016g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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