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189132-01-2 | Carbamic acid, N-[(4-iodophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 189132-01-2 Catalog No: AG002HXI MDL No:MFCD09701232
Product Description
Catalog Number:
AG002HXI
Chemical Name:
Carbamic acid, N-[(4-iodophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
189132-01-2
Molecular Formula:
C12H16INO2
Molecular Weight:
333.1654
MDL Number:
MFCD09701232
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
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1)I
Properties
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
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