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157496-75-8 | Carbamic acid, N-(2-iodo-4-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS No: 157496-75-8 Catalog No: AG001PGU MDL No:
Product Description
Catalog Number:
AG001PGU
Chemical Name:
Carbamic acid, N-(2-iodo-4-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS Number:
157496-75-8
Molecular Formula:
C12H16INO3
Molecular Weight:
349.1648
IUPAC Name:
tert-butyl N-(2-iodo-4-methoxyphenyl)carbamate
InChI:
InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-10-6-5-8(16-4)7-9(10)13/h5-7H,1-4H3,(H,14,15)
InChI Key:
QVVBFDVJTIYVAU-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)I)NC(=O)OC(C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.168g/mol
Monoisotopic Mass:
349.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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