Name: Name:(S)-2-((1-(2-(trifluoroMethyl)phenyl)ethoxy)carbonyl)benzoic acid
Brand: Angene
SKU: AG009C5D
Rating: 90 (10 reviews)

(S)-2-((1-(2-(trifluoroMethyl)phenyl)ethoxy)carbonyl)benzoic acid

CAS No.:

127852-25-9

Catalog Number:

AG009C5D

Molecular Formula:

C17H13F3O4

Molecular Weight:

338.2779

Catalog Number:

AG009C5D

Chemical Name:

(S)-2-((1-(2-(trifluoroMethyl)phenyl)ethoxy)carbonyl)benzoic acid

CAS Number:

127852-25-9

Molecular Formula:

C17H13F3O4

Molecular Weight:

338.2779

MDL Number:

MFCD18642704

IUPAC Name:

2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]carbonylbenzoic acid

InChI:

InChI=1S/C17H13F3O4/c1-10(11-6-4-5-9-14(11)17(18,19)20)24-16(23)13-8-3-2-7-12(13)15(21)22/h2-10H,1H3,(H,21,22)/t10-/m0/s1

InChI Key:

GOSSQWXBWXTINY-JTQLQIEISA-N

SMILES:

O=C(c1ccccc1C(=O)O)O[C@H](c1ccccc1C(F)(F)F)C

Complexity:

463

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.282g/mol

Monoisotopic Mass:

338.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1