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35674-27-2 | 4-Iodo-3-nitrobenzoic acid
CAS No: 35674-27-2 Catalog No: AG00BZBQ MDL No:MFCD00502399
Product Description
Catalog Number:
AG00BZBQ
Chemical Name:
4-Iodo-3-nitrobenzoic acid
CAS Number:
35674-27-2
Molecular Formula:
C7H4INO4
Molecular Weight:
293.0154
MDL Number:
MFCD00502399
IUPAC Name:
4-iodo-3-nitrobenzoic acid
InChI:
InChI=1S/C7H4INO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
DNMTZLCNLAIKQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1I)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:
1.9
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