AG002HXI

189132-01-2 | (4-Iodo-benzyl)-carbamic acid tert-butyl ester

AG002HXI

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CAS Number	189132-01-2
Catalog Number	AG002HXI(AGN-PC-07XTD2)
Chemical Name	(4-Iodo-benzyl)-carbamic acid tert-butyl ester
IUPAC Name	tert-butyl N-[(4-iodophenyl)methyl]carbamate
InChI	InChI=1S/C12H16INO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key	XXLBBLSVNGDBGH-UHFFFAOYSA-N
MDL Number	MFCD19195499
Molecular Formula	C12H16INO2
Molecular Weight	333.1654
SMILES	O=C(OC(C)(C)C)NCC1=CC=C(I)C=C1
Synonyms	tert-Butyl 4-iodobenzylcarbamate, 189132-01-2, N-Boc-4-iodobenzylamine, (4-Iodo-benzyl)-carbamic acid tert-butyl ester, tert-Butyl (4-iodobenzyl)carbamate, TERT-BUTYL N-[(4-IODOPHENYL)METHYL]CARBAMATE, SCHEMBL3017280, CTK0E1836, DTXSID20674166, XXLBBLSVNGDBGH-UHFFFAOYSA-N, ZXBA000570, 4605AJ, MFCD09701232, ZINC35323434, AKOS015960281, FCH1618076, FS-6186, SB23020, AJ-91298, (4-odo-enzyl)-arbamic acid tert-utyl ester, AX8291402, tert-Butyl [(4-iodophenyl)methyl]carbamate, (4-iodobenzyl)carbamic acid tert-butyl ester, tert-Butyl 4-Iodobenzylcarbamate, AldrichCPR, K-5668, Carbamic acid, [(4-iodophenyl)methyl]-, 1,1-dimethylethyl ester, C12H16INO2,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	333.023g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	333.169g/mol
Monoisotopic Mass	333.023g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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