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113932-81-3 | Carbamic acid, (3-iodophenyl)-, methyl ester (9CI)
CAS No: 113932-81-3 Catalog No: AG000A43 MDL No:
Product Description
Catalog Number:
AG000A43
Chemical Name:
Carbamic acid, (3-iodophenyl)-, methyl ester (9CI)
CAS Number:
113932-81-3
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
IUPAC Name:
methyl N-(3-iodophenyl)carbamate
InChI:
InChI=1S/C8H8INO2/c1-12-8(11)10-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)
InChI Key:
JXFFZYQBFVGBRE-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cccc(c1)I
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.061g/mol
Monoisotopic Mass:
276.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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