AG0096JV

1179986-79-8 | (4-Iodo-cyclohexyl)-carbamic acid tert-butyl ester

AG0096JV

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CAS Number	1179986-79-8
Catalog Number	AG0096JV(AGN-PC-0H0XPK)
Chemical Name	(4-Iodo-cyclohexyl)-carbamic acid tert-butyl ester
IUPAC Name	tert-butyl N-(4-iodocyclohexyl)carbamate
InChI	InChI=1S/C11H20INO2/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	QCZCZCVQESKMBB-UHFFFAOYSA-N
MDL Number	MFCD18252818
Molecular Formula	C11H20INO2
Molecular Weight	325.1865
SMILES	IC1CCC(CC1)NC(OC(C)(C)C)=O
Synonyms	tert-Butyl (4-iodocyclohexyl)carbamate, 1179986-79-8, (4-Iodo-cyclohexyl)-carbamic acid tert-butyl ester, AK160438, tert-butyl N-(4-iodocyclohexyl)carbamate, SCHEMBL12440715, SCHEMBL12694256, SCHEMBL15860592, KS-00000SJI, DTXSID20735221, MFCD18252818, ZINC79436556, AKOS017342977, AM90901, DS-9718, FCH1623423, AJ-123174, AX8293573, CS-0041007, ST24049540, (4-Iodo-cyclohexyl)carbamic acid tert-butyl ester, ACN-052912, tert-butyl cis-4-iodo(cyclohexyl)carbamate, tert-butyl trans-4-iodo(cyclohexyl)carbamate, tert-Butyl (4-iodocyclohexyl)carbamate, 95% - 1G 1g, 1019861-63-2, 1204401-31-9,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	325.054g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	325.19g/mol
Monoisotopic Mass	325.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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