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Home > Fluorides > 261945-09-9
261945-09-9 | Benzoic acid, 3,5-difluoro-4-(trifluoromethyl)-
CAS No: 261945-09-9 Catalog No: AG002S5O MDL No:MFCD01631619
Product Description
Catalog Number:
AG002S5O
Chemical Name:
Benzoic acid, 3,5-difluoro-4-(trifluoromethyl)-
CAS Number:
261945-09-9
Molecular Formula:
C8H3F5O2
Molecular Weight:
226.1002
MDL Number:
MFCD01631619
IUPAC Name:
3,5-difluoro-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3F5O2/c9-4-1-3(7(14)15)2-5(10)6(4)8(11,12)13/h1-2H,(H,14,15)
InChI Key:
MKESWMDKZFRERU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)F)C(F)(F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.102g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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