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10463-17-9 | Benzoic acid,4-hydroxy-3-iodo-5-nitro-
CAS No: 10463-17-9 Catalog No: AG007GX8 MDL No:
Product Description
Catalog Number:
AG007GX8
Chemical Name:
Benzoic acid,4-hydroxy-3-iodo-5-nitro-
CAS Number:
10463-17-9
Molecular Formula:
C7H4INO5
Molecular Weight:
309.0148
IUPAC Name:
4-hydroxy-3-iodo-5-nitrobenzoic acid
InChI:
InChI=1S/C7H4INO5/c8-4-1-3(7(11)12)2-5(6(4)10)9(13)14/h1-2,10H,(H,11,12)
InChI Key:
OVNWFZWJHJVRGG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)I)C(=O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.913g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.015g/mol
Monoisotopic Mass:
308.913g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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