Home Other Building Blocks Propanedioic acid, 2-[3-(trifluoromethyl)phenyl]-, 1,3-diethyl ester

Propanedioic acid, 2-[3-(trifluoromethyl)phenyl]-, 1,3-diethyl ester

CAS No.:
1997-28-0
Catalog Number:
AG002CAR
Molecular Formula:
C14H15F3O4
Molecular Weight:
304.2617
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Product Description
Catalog Number:
AG002CAR
Chemical Name:
Propanedioic acid, 2-[3-(trifluoromethyl)phenyl]-, 1,3-diethyl ester
CAS Number:
1997-28-0
Molecular Formula:
C14H15F3O4
Molecular Weight:
304.2617
MDL Number:
MFCD04039209
IUPAC Name:
diethyl 2-[3-(trifluoromethyl)phenyl]propanedioate
InChI:
InChI=1S/C14H15F3O4/c1-3-20-12(18)11(13(19)21-4-2)9-6-5-7-10(8-9)14(15,16)17/h5-8,11H,3-4H2,1-2H3
InChI Key:
XUVNJTKVYGCXEY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1)C(F)(F)F)C(=O)OCC
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.092g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.265g/mol
Monoisotopic Mass:
304.092g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties