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13538-28-8 | 2-iodophenyl methylcarbamate
CAS No: 13538-28-8 Catalog No: AG007LFQ MDL No:
Product Description
Catalog Number:
AG007LFQ
Chemical Name:
2-iodophenyl methylcarbamate
CAS Number:
13538-28-8
Molecular Formula:
C8H8INO2
Molecular Weight:
277.0591
IUPAC Name:
(2-iodophenyl) N-methylcarbamate
InChI:
InChI=1S/C8H8INO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)
InChI Key:
HVJMIFGTRJLGIB-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1ccccc1I
NSC Number:
38961
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:
1.9
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