Home Other Building Blocks 2-Difluoromethyl-benzoic acid methyl ester

2-Difluoromethyl-benzoic acid methyl ester

CAS No.:
1018678-48-2
Catalog Number:
AG0005S3
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$119
- +
5g
97%
In Stock USA
United States
$369
- +
10g
97%
In Stock USA
United States
$619
- +
25g
97%
In Stock USA
United States
$1238
- +
Product Description
Catalog Number:
AG0005S3
Chemical Name:
2-Difluoromethyl-benzoic acid methyl ester
CAS Number:
1018678-48-2
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD16140192
IUPAC Name:
methyl 2-(difluoromethyl)benzoate
InChI:
InChI=1S/C9H8F2O2/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5,8H,1H3
InChI Key:
KGOFBYAEKGHAQG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(F)F
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties