Home Other Building Blocks Methyl 3,5-difluorobenzoate

Methyl 3,5-difluorobenzoate

CAS No.:
216393-55-4
Catalog Number:
AG003RQG
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$34
- +
25g
98%
In Stock USA
United States
$132
- +
100g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003RQG
Chemical Name:
Methyl 3,5-difluorobenzoate
CAS Number:
216393-55-4
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD01318160
IUPAC Name:
methyl 3,5-difluorobenzoate
InChI:
InChI=1S/C8H6F2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key:
JBEJPGWPXIIQBB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc(c1)F
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties