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161117-84-6 | Carbamic acid, N-(2-iodophenyl)-, 1,1-dimethylethyl ester
CAS No: 161117-84-6 Catalog No: AG001S6X MDL No:MFCD07369726
Product Description
Catalog Number:
AG001S6X
Chemical Name:
Carbamic acid, N-(2-iodophenyl)-, 1,1-dimethylethyl ester
CAS Number:
161117-84-6
Molecular Formula:
C11H14INO2
Molecular Weight:
319.1388
MDL Number:
MFCD07369726
IUPAC Name:
tert-butyl N-(2-iodophenyl)carbamate
InChI:
InChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
InChI Key:
PPYKNLRMZVGYQL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccccc1I
Properties
Complexity:
225
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:
3.4
Literature
| Title | Journal |
|---|---|
| Total syntheses of (-)- and (+)-goniomitine. | Organic letters 20110401 |
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