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116529-62-5 | Benzoic acid, 4-iodo-2-nitro-
CAS No: 116529-62-5 Catalog No: AG000CPI MDL No:MFCD09909618
Product Description
Catalog Number:
AG000CPI
Chemical Name:
Benzoic acid, 4-iodo-2-nitro-
CAS Number:
116529-62-5
Molecular Formula:
C7H4INO4
Molecular Weight:
293.0154
MDL Number:
MFCD09909618
IUPAC Name:
4-iodo-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4INO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
InChI Key:
IZBFYNYRKIUGSG-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.016g/mol
Monoisotopic Mass:
292.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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