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114152-23-7 | Benzeneacetic acid, 2,3,6-trifluoro-
CAS No: 114152-23-7 Catalog No: AG000AO8 MDL No:MFCD00061217
Product Description
Catalog Number:
AG000AO8
Chemical Name:
Benzeneacetic acid, 2,3,6-trifluoro-
CAS Number:
114152-23-7
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00061217
IUPAC Name:
2-(2,3,6-trifluorophenyl)acetic acid
InChI:
InChI=1S/C8H5F3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChI Key:
QRAZASHLGLHKEB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(F)ccc(c1F)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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