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Home > Fluorides > 229178-74-9
229178-74-9 | Benzoic acid, 2,6-difluoro-3-iodo-
CAS No: 229178-74-9 Catalog No: AG002LHR MDL No:MFCD11040446
Product Description
Catalog Number:
AG002LHR
Chemical Name:
Benzoic acid, 2,6-difluoro-3-iodo-
CAS Number:
229178-74-9
Molecular Formula:
C7H3F2IO2
Molecular Weight:
283.9988
MDL Number:
MFCD11040446
IUPAC Name:
2,6-difluoro-3-iodobenzoic acid
InChI:
InChI=1S/C7H3F2IO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChI Key:
LBYMGWJMJSYYKG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1F)I
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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