AG00ABZE

171178-45-3 | 5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine

AG00ABZE

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CAS Number	171178-45-3
Catalog Number	AG00ABZE(AGN-PC-0LYN2Q)
Chemical Name	5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine
IUPAC Name	tert-butyl N-(6-chloropyridin-3-yl)carbamate
InChI	InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
InChI Key	IRHNQVINMHHEIO-UHFFFAOYSA-N
MDL Number	MFCD08062421
Molecular Formula	C10H13ClN2O2
Molecular Weight	228.6754
SMILES	CC(C)(C)OC(=O)NC1=CC=C(Cl)N=C1
Synonyms	171178-45-3, tert-Butyl (6-chloropyridin-3-yl)carbamate, 5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine, tert-butyl N-(6-chloropyridin-3-yl)carbamate, tert-Butyl 6-chloropyridin-3-ylcarbamate, 5-Boc-Amino-2-chloropyridine, (6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester, Carbamic acid, (6-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester, tert-butyl(6-chloropyridin-3-yl)carbamate, AC1OK54O, SCHEMBL535403, CTK7G9127, DTXSID60428544, IRHNQVINMHHEIO-UHFFFAOYSA-N, KS-00000FX0, ZINC4716576, ANW-55580, MFCD08062421, SBB051827, AKOS015838214, AM84599, AS-5628, HP11361, RP27776, RTR-007522, AJ-52063, AK-62645, tert-butyl (6-chloropyridin-3yl)carbamate, tert-butyl 6-chloropyridin-3-yl-carbamate, 5-(t-butoxycarbonylamino)-2-chloropyridine, AB0003426, DB-043854, TR-027182, CS-0036498, FT-0643638, ST24049562, Y6087, Z-8063, tert-butyl N-(6-chloranylpyridin-3-yl)carbamate, (tert-butoxy)-N-(6-chloro(3-pyridyl))carboxamide, A811302, (6-Chloro-3-pyridyl)carbamic acid tert-butyl ester, 1,1-Dimethylethyl (6-Chloro-3-pyridinyl)carbamate, I04-3942, J-010694, J-516612, (6-chloro-pyridin-3-yl)-carbamic acid t-butyl ester, (6-Chloro-pyridin-3-yl)carbamic acid tert-butyl ester, (6-chloropyridin-3-yl)carbamic acid tert-butyl ester, (6-chloro-pyridin-3-yl)-carbamic acid, tert-butyl ester, N-(6-chloro-3-pyridinyl)carbamic acid tert-butyl ester, C10H13ClN2O2, ZINC04716576, CID7330593, 4-Isopropoxy-2,3,5,6-tetrafluorophenylboronic acid, 871126-28-2,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.067g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.676g/mol
Monoisotopic Mass	228.067g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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