Home Carboxys Methyl 3,4,5-trifluorobenzenecarboxylate

Methyl 3,4,5-trifluorobenzenecarboxylate

CAS No.:
773873-72-6
Catalog Number:
AG0053SW
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$175
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0053SW
Chemical Name:
Methyl 3,4,5-trifluorobenzenecarboxylate
CAS Number:
773873-72-6
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD06200977
IUPAC Name:
methyl 3,4,5-trifluorobenzoate
InChI:
InChI=1S/C8H5F3O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChI Key:
NBBPHMUHCCIOJQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties