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863870-82-0 | Carbamic acid,diethyl-, 2,3-diiodophenyl ester (9CI)
CAS No: 863870-82-0 Catalog No: AG004XDF MDL No:
Product Description
Catalog Number:
AG004XDF
Chemical Name:
Carbamic acid,diethyl-, 2,3-diiodophenyl ester (9CI)
CAS Number:
863870-82-0
Molecular Formula:
C11H13I2NO2
Molecular Weight:
445.0354
IUPAC Name:
(2,3-diiodophenyl) N,N-diethylcarbamate
InChI:
InChI=1S/C11H13I2NO2/c1-3-14(4-2)11(15)16-9-7-5-6-8(12)10(9)13/h5-7H,3-4H2,1-2H3
InChI Key:
XZEIENGMIBARLF-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Oc1cccc(c1I)I)CC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.904g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
445.039g/mol
Monoisotopic Mass:
444.904g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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