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1608-46-4 | Benzene, 1,2-diiodo-4-nitro-
CAS No: 1608-46-4 Catalog No: AG001VCZ MDL No:
Product Description
Catalog Number:
AG001VCZ
Chemical Name:
Benzene, 1,2-diiodo-4-nitro-
CAS Number:
1608-46-4
Molecular Formula:
C6H3I2NO2
Molecular Weight:
374.9025
IUPAC Name:
1,2-diiodo-4-nitrobenzene
InChI:
InChI=1S/C6H3I2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChI Key:
FBLUCIWMGHTPJO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)I)I
NSC Number:
9180
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.825g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.904g/mol
Monoisotopic Mass:
374.825g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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