200,000+ products from a single source!
sales@angenechem.com
86311-86-6 | Propanedioic acid, (phenylmethyl)(trifluoromethyl)-, dimethyl ester
CAS No: 86311-86-6 Catalog No: AG004MBN MDL No:
Product Description
Catalog Number:
AG004MBN
Chemical Name:
Propanedioic acid, (phenylmethyl)(trifluoromethyl)-, dimethyl ester
CAS Number:
86311-86-6
Molecular Formula:
C13H13F3O4
Molecular Weight:
290.2351
IUPAC Name:
dimethyl 2-benzyl-2-(trifluoromethyl)propanedioate
InChI:
InChI=1S/C13H13F3O4/c1-19-10(17)12(11(18)20-2,13(14,15)16)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
KBQMEWPAXAXFBR-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)(C(=O)OC)Cc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.238g/mol
Monoisotopic Mass:
290.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.