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144632-97-3 | Benzeneacetic acid, 3,5-bis(trifluoromethyl)-, ethyl ester
CAS No: 144632-97-3 Catalog No: AG001JVF MDL No:MFCD08689894
Product Description
Catalog Number:
AG001JVF
Chemical Name:
Benzeneacetic acid, 3,5-bis(trifluoromethyl)-, ethyl ester
CAS Number:
144632-97-3
Molecular Formula:
C12H10F6O2
Molecular Weight:
300.1970
MDL Number:
MFCD08689894
IUPAC Name:
ethyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate
InChI:
InChI=1S/C12H10F6O2/c1-2-20-10(19)5-7-3-8(11(13,14)15)6-9(4-7)12(16,17)18/h3-4,6H,2,5H2,1H3
InChI Key:
ICTVPOAERFKXSS-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.2g/mol
Monoisotopic Mass:
300.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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