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19230-50-3 | Benzoic acid, 2-iodo-5-nitro-
CAS No: 19230-50-3 Catalog No: AG002FTJ MDL No:MFCD00234256
Product Description
Catalog Number:
AG002FTJ
Chemical Name:
Benzoic acid, 2-iodo-5-nitro-
CAS Number:
19230-50-3
Molecular Formula:
C7H4INO4
Molecular Weight:
293.0154
MDL Number:
MFCD00234256
IUPAC Name:
2-iodo-5-nitrobenzoic acid
InChI:
InChI=1S/C7H4INO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
JSSFIFUXHORXJX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)O)I
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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