Benzoic acid, 3,5-difluoro-, methyl ester


Chemical Name: Benzoic acid, 3,5-difluoro-, methyl ester
CAS Number: 216393-55-4
Product Number: AG003RQG(AGN-PC-0KKWSX)
Synonyms:
MDL No:
Molecular Formula: C8H6F2O2
Molecular Weight: 172.1288

Identification/Properties


Properties
MP:
23-27 °C(lit.)
BP:
187-189°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.4740(lit.)
Computed Properties
Molecular Weight:
172.131g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.034g/mol
Monoisotopic Mass:
172.034g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
162
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#:
-
Hazard Statements:
H302-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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