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14192-12-2 | Benzoic acid, 2,5-diiodo-
CAS No: 14192-12-2 Catalog No: AG001HDY MDL No:MFCD00045801
Product Description
Catalog Number:
AG001HDY
Chemical Name:
Benzoic acid, 2,5-diiodo-
CAS Number:
14192-12-2
Molecular Formula:
C7H4I2O2
Molecular Weight:
373.9144
MDL Number:
MFCD00045801
IUPAC Name:
2,5-diiodobenzoic acid
InChI:
InChI=1S/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key:
NSKPFWAAYDFCFS-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)I
NSC Number:
97505
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.83g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.916g/mol
Monoisotopic Mass:
373.83g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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