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1416440-54-4 | Benzoic acid, 2-amino-3-iodo-5-nitro-
CAS No: 1416440-54-4 Catalog No: AG001GT4 MDL No:
Product Description
Catalog Number:
AG001GT4
Chemical Name:
Benzoic acid, 2-amino-3-iodo-5-nitro-
CAS Number:
1416440-54-4
Molecular Formula:
C7H5IN2O4
Molecular Weight:
308.0301
IUPAC Name:
2-amino-3-iodo-5-nitrobenzoic acid
InChI:
InChI=1S/C7H5IN2O4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,9H2,(H,11,12)
InChI Key:
VKNLWOAEKSUWLH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(I)c(c(c1)C(=O)O)N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.929g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.031g/mol
Monoisotopic Mass:
307.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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