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186517-41-9 | 3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
CAS No: 186517-41-9 Catalog No: AG003J6R MDL No:MFCD01631342
Product Description
Catalog Number:
AG003J6R
Chemical Name:
3-Chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
CAS Number:
186517-41-9
Molecular Formula:
C8H3ClF4O2
Molecular Weight:
242.5548
MDL Number:
MFCD01631342
IUPAC Name:
3-chloro-2-fluoro-6-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3ClF4O2/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H,14,15)
InChI Key:
PCNHWBAPTNAREE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(Cl)ccc1C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.554g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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