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243666-12-8 | 2-(2,3,4-Trifluorophenyl)acetic acid
CAS No: 243666-12-8 Catalog No: AG003FE7 MDL No:MFCD00061235
Product Description
Catalog Number:
AG003FE7
Chemical Name:
2-(2,3,4-Trifluorophenyl)acetic acid
CAS Number:
243666-12-8
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00061235
IUPAC Name:
2-(2,3,4-trifluorophenyl)acetic acid
InChI:
InChI=1S/C8H5F3O2/c9-5-2-1-4(3-6(12)13)7(10)8(5)11/h1-2H,3H2,(H,12,13)
InChI Key:
OSQPRQRJSJMQRJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1F)F)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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