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57830-60-1 | 1,3-Diiodo-5-nitrobenzene
CAS No: 57830-60-1 Catalog No: AG00ELO9 MDL No:MFCD00156599
Product Description
Catalog Number:
AG00ELO9
Chemical Name:
1,3-Diiodo-5-nitrobenzene
CAS Number:
57830-60-1
Molecular Formula:
C6H3I2NO2
Molecular Weight:
374.9025
MDL Number:
MFCD00156599
IUPAC Name:
1,3-diiodo-5-nitrobenzene
InChI:
InChI=1S/C6H3I2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI Key:
JIVYEUNBDFYQRD-UHFFFAOYSA-N
SMILES:
Ic1cc(cc(c1)I)[N+](=O)[O-]
Properties
Complexity:
149
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:
3.1
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