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137882-85-0 | Benzene, (2-iodo-1,2-dinitroethenyl)-
CAS No: 137882-85-0 Catalog No: AG006YV2 MDL No:
Product Description
Catalog Number:
AG006YV2
Chemical Name:
Benzene, (2-iodo-1,2-dinitroethenyl)-
CAS Number:
137882-85-0
Molecular Formula:
C8H5IN2O4
Molecular Weight:
320.0408
IUPAC Name:
(2-iodo-1,2-dinitroethenyl)benzene
InChI:
InChI=1S/C8H5IN2O4/c9-8(11(14)15)7(10(12)13)6-4-2-1-3-5-6/h1-5H
InChI Key:
OWJRXMVURVBJGJ-UHFFFAOYSA-N
SMILES:
IC(=C(c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.929g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.042g/mol
Monoisotopic Mass:
319.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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