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1000547-15-8,MFCD09925304
Catalog No.:AA0000MN
BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)- | 1000547-15-8
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
1 week  
$279.00
- +
250mg
95.0%
1 week  
$385.00
- +
500mg
95.0%
1 week  
$606.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000MN
Chemical Name:
BENZENEACETIC ACID, 3-(DIFLUOROMETHYL)-
CAS Number:
1000547-15-8
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD09925304
IUPAC Name:
2-[3-(difluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H8F2O2/c10-9(11)7-3-1-2-6(4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChI Key:
KDYGLVQGRMDQBI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)C(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:
1  
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
2-(3-(Difluoromethyl)phenyl)acetic acid 
1000547-15-8 
Z1814381834 
2-[3-(difluoromethyl)phenyl]acetic acid 
ZINC44375574 
[3-(Difluoromethyl)phenyl]acetic acid 
AKOS006314700 
MCULE-2670129947 
NE19193 
Benzeneacetic acid, 3-(difluoromethyl)- 
AJ-109680 
Literature
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