Home Fluorides 1018678-48-2
1018678-48-2,MFCD16140192
Catalog No.:AA0005PB
1018678-48-2 | 2-Difluoromethyl-benzoic acid methyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$135.00   $95.00
- +
5g
97%
in stock  
$468.00   $328.00
- +
10g
97%
in stock  
$786.00   $550.00
- +
25g
97%
in stock  
$1,572.00   $1,100.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0005PB
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
Computed 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  

Synonyms
 
1018678-48-2 
methyl 2-(difluoromethyl)benzoate 
ZINC74938399 
AKOS005258377 
FCH1174116 
Methyl 2-(difluoromethyl)benzoate, 95% 
AS-45875 
AX8270615 
FT-0684568 
Z-0688 
Benzoic acid, 2-(difluoromethyl)-, methyl ester 
2-DIFLUOROMETHYL-BENZOIC ACID METHYL ESTER 
BENZOIC ACID,1-(DIFLUOROMETHYL)-METHYL ESTER 
SCHEMBL465679 
DTXSID50700740 
KGOFBYAEKGHAQG-UHFFFAOYSA-N 
BBL101413 
MFCD16140192 
STL555209 
Literature
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