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159217-89-7 | Carbamic acid, N-(4-iodophenyl)-, 1,1-dimethylethyl ester
CAS No: 159217-89-7 Catalog No: AG001QJS MDL No:MFCD03490497
Product Description
Catalog Number:
AG001QJS
Chemical Name:
Carbamic acid, N-(4-iodophenyl)-, 1,1-dimethylethyl ester
CAS Number:
159217-89-7
Molecular Formula:
C11H14INO2
Molecular Weight:
319.1388
MDL Number:
MFCD03490497
IUPAC Name:
tert-butyl N-(4-iodophenyl)carbamate
InChI:
InChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChI Key:
CGALRQWBJFDAKN-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)I)OC(C)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.142g/mol
Monoisotopic Mass:
319.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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