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Home > Fluorides > 161531-51-7
161531-51-7 | Benzoic acid, 2,4-difluoro-5-iodo-
CAS No: 161531-51-7 Catalog No: AG001VNP MDL No:MFCD11226506
Product Description
Catalog Number:
AG001VNP
Chemical Name:
Benzoic acid, 2,4-difluoro-5-iodo-
CAS Number:
161531-51-7
Molecular Formula:
C7H3F2IO2
Molecular Weight:
283.9988
MDL Number:
MFCD11226506
IUPAC Name:
2,4-difluoro-5-iodobenzoic acid
InChI:
InChI=1S/C7H3F2IO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
OSBABFNFGBPWGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(cc1F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.915g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284g/mol
Monoisotopic Mass:
283.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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