Benzoic acid, 3-(trifluoromethyl)-, methyl ester


Chemical Name: Benzoic acid, 3-(trifluoromethyl)-, methyl ester
CAS Number: 2557-13-3
Product Number: AG003IAQ(AGN-PC-0JS9CF)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459

Identification/Properties


Properties
BP:
208.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.453(lit.)
Computed Properties
Molecular Weight:
204.148g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
204.04g/mol
Monoisotopic Mass:
204.04g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
213
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback