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64297-65-0 | Benzoic acid, 3-iodyl-
CAS No: 64297-65-0 Catalog No: AG00H937 MDL No:
Product Description
Catalog Number:
AG00H937
Chemical Name:
Benzoic acid, 3-iodyl-
CAS Number:
64297-65-0
Molecular Formula:
C7H5IO4
Molecular Weight:
280.0167
IUPAC Name:
3-iodylbenzoic acid
InChI:
InChI=1S/C7H5IO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
InChI Key:
PXGYMLKSIXWMJW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)[I](=O)=O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.923g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.017g/mol
Monoisotopic Mass:
279.923g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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