200,000+ products from a single source!
sales@angenechem.com
155722-95-5 | Benzenebutanoic acid, γ-oxo-4-(trifluoromethyl)-, ethyl ester
CAS No: 155722-95-5 Catalog No: AG001O5H MDL No:MFCD02261349
Product Description
Catalog Number:
AG001O5H
Chemical Name:
Benzenebutanoic acid, γ-oxo-4-(trifluoromethyl)-, ethyl ester
CAS Number:
155722-95-5
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
MDL Number:
MFCD02261349
IUPAC Name:
ethyl 4-oxo-4-[4-(trifluoromethyl)phenyl]butanoate
InChI:
InChI=1S/C13H13F3O3/c1-2-19-12(18)8-7-11(17)9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3
InChI Key:
PJXBSEMPGQDIBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.239g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.