200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1365271-42-6
1365271-42-6 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro-3'-(trifluoromethyl)-, methyl ester
CAS No: 1365271-42-6 Catalog No: AG0011ZA MDL No:MFCD21609729
Product Description
Catalog Number:
AG0011ZA
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro-3'-(trifluoromethyl)-, methyl ester
CAS Number:
1365271-42-6
Molecular Formula:
C15H10F4O2
Molecular Weight:
298.2323
MDL Number:
MFCD21609729
IUPAC Name:
methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
InChI:
InChI=1S/C15H10F4O2/c1-21-14(20)10-4-2-9(3-5-10)11-6-7-13(16)12(8-11)15(17,18)19/h2-8H,1H3
InChI Key:
FPIJQZDDAVVHKQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.237g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.