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204636-26-0 | Benzene, (1,2-diiodo-2-nitroethenyl)-
CAS No: 204636-26-0 Catalog No: AG0029MR MDL No:
Product Description
Catalog Number:
AG0029MR
Chemical Name:
Benzene, (1,2-diiodo-2-nitroethenyl)-
CAS Number:
204636-26-0
Molecular Formula:
C8H5I2NO2
Molecular Weight:
400.9397
IUPAC Name:
(1,2-diiodo-2-nitroethenyl)benzene
InChI:
InChI=1S/C8H5I2NO2/c9-7(8(10)11(12)13)6-4-2-1-3-5-6/h1-5H
InChI Key:
IYTLKYIDVIKPRU-UHFFFAOYSA-N
SMILES:
IC(=C([N+](=O)[O-])I)c1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.841g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.942g/mol
Monoisotopic Mass:
400.841g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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