AG002KEY

209798-48-1 | Carbamic acid, N-(2-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester

AG002KEY

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CAS Number	209798-48-1
Catalog Number	AG002KEY(AGN-PC-00ITRJ)
Chemical Name	Carbamic acid, N-(2-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(2-chloropyridin-3-yl)carbamate
InChI	InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14)
InChI Key	VUHVCMJKJLGRJX-UHFFFAOYSA-N
MDL Number	MFCD12026344
Molecular Formula	C10H13ClN2O2
Molecular Weight	228.6754
SMILES	O=C(OC(C)(C)C)NC1=CC=CN=C1Cl
Synonyms	209798-48-1, tert-Butyl (2-chloropyridin-3-yl)carbamate, tert-Butyl 2-Chloropyridin-3-ylcarbamate, (2-chloro-pyridin-3-yl)-carbamic acid tert-butyl ester, Tert-butyl N-(2-chloropyridin-3-yl)carbamate, SCHEMBL1699207, CTK7G8114, DTXSID00474823, VUHVCMJKJLGRJX-UHFFFAOYSA-N, KS-000019TF, 0726AB, ANW-65066, MFCD12026344, SBB051853, ZINC40447839, AKOS014476315, CS-W004468, CS-13213, DA-08308, AJ-102532, TC-153811, FT-0729186, Z-8429, (tert-butoxy)-N-(2-chloro(3-pyridyl))carboxamide, Carbamic acid, N-(2-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester, C10H13ClN2O2, CID11961738,

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
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

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