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181942-29-0 | Benzoic acid, 3-ethyl-2,4,5-trifluoro-
CAS No: 181942-29-0 Catalog No: AG002388 MDL No:
Product Description
Catalog Number:
AG002388
Chemical Name:
Benzoic acid, 3-ethyl-2,4,5-trifluoro-
CAS Number:
181942-29-0
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
IUPAC Name:
3-ethyl-2,4,5-trifluorobenzoic acid
InChI:
InChI=1S/C9H7F3O2/c1-2-4-7(11)5(9(13)14)3-6(10)8(4)12/h3H,2H2,1H3,(H,13,14)
InChI Key:
YNGXHRRTAUOVKC-UHFFFAOYSA-N
SMILES:
CCc1c(F)c(cc(c1F)F)C(=O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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