Home Halogens Methyl 3-chloro-4,5-difluorobenzoate

Methyl 3-chloro-4,5-difluorobenzoate

CAS No.:
1214344-87-2
Catalog Number:
AG0014UF
Molecular Formula:
C8H5ClF2O2
Molecular Weight:
206.5739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$125
- +
5g
95%
In Stock USA
United States
$375
- +
25g
95%
In Stock USA
United States
$1225
- +
100g
95%
In Stock USA
United States
$3500
- +
Product Description
Catalog Number:
AG0014UF
Chemical Name:
Methyl 3-chloro-4,5-difluorobenzoate
CAS Number:
1214344-87-2
Molecular Formula:
C8H5ClF2O2
Molecular Weight:
206.5739
MDL Number:
MFCD14698002
IUPAC Name:
methyl 3-chloro-4,5-difluorobenzoate
InChI:
InChI=1S/C8H5ClF2O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChI Key:
RQLVBIYHPRXEIA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)Cl)F
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.995g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.573g/mol
Monoisotopic Mass:
205.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties