Benzoic acid, (trifluoromethyl)-, methyl ester


Chemical Name: Benzoic acid, (trifluoromethyl)-, methyl ester
CAS Number: 344-96-7
Product Number: AG003RL5(AGN-PC-0KKWY9)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459

Identification/Properties


Properties
BP:
98-100°C at 15 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.455
Computed Properties
Molecular Weight:
204.148g/mol
XLogP3:
1.7
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H227-H315-H319
Precautionary Statements:
P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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