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Home > Fluorides > 501432-98-0
501432-98-0 | 3,6-Difluoro-2-iodobenzoic acid
CAS No: 501432-98-0 Catalog No: AG01EW7A MDL No:MFCD12922619
Product Description
Catalog Number:
AG01EW7A
Chemical Name:
3,6-Difluoro-2-iodobenzoic acid
CAS Number:
501432-98-0
Molecular Formula:
C7H3F2IO2
Molecular Weight:
283.9988
MDL Number:
MFCD12922619
IUPAC Name:
3,6-difluoro-2-iodobenzoic acid
InChI:
InChI=1S/C7H3F2IO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChI Key:
JIHIYFRBPDXDFV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1I)C(=O)O)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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