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5398-69-6 | 2-Iodo-3-nitrobenzoic acid
CAS No: 5398-69-6 Catalog No: AG003HGI MDL No:MFCD00277941
Product Description
Catalog Number:
AG003HGI
Chemical Name:
2-Iodo-3-nitrobenzoic acid
CAS Number:
5398-69-6
Molecular Formula:
C7H4INO4
Molecular Weight:
293.0154
MDL Number:
MFCD00277941
IUPAC Name:
2-iodo-3-nitrobenzoic acid
InChI:
InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
InChI Key:
XWOGTRRVKVPJSP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1I)[N+](=O)[O-]
NSC Number:
4539
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:
1.9
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