AG00A5IQ

1353963-71-9 | (4-Bromo-cyclohexyl)-carbamic acid tert-butyl ester

AG00A5IQ

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CAS Number	1353963-71-9
Catalog Number	AG00A5IQ(AGN-PC-0H0XPJ)
Chemical Name	(4-Bromo-cyclohexyl)-carbamic acid tert-butyl ester
IUPAC Name	tert-butyl N-(4-bromocyclohexyl)carbamate
InChI	InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14)
InChI Key	QQQIIDPCBBHRKE-UHFFFAOYSA-N
MDL Number	MFCD21097795
Molecular Formula	C11H20BrNO2
Molecular Weight	278.1860
SMILES	O=C(OC(C)(C)C)NC1CCC(Br)CC1
Synonyms	tert-Butyl (4-bromocyclohexyl)carbamate, 1353963-71-9, (4-Bromo-cyclohexyl)-carbamic acid tert-butyl ester, tert-butyl N-(4-bromocyclohexyl)carbamate, (4-Bromocyclohexyl)carbamic acid tert-butyl ester, MFCD21097795, ZINC79436552, AKOS018444111, AM93322, CS-W022972, AK160558, AS-48866, AJ-123173, ST24049530, tert-butyl 4-bromocyclohexylcarbamate,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.068g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.19g/mol
Monoisotopic Mass	277.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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