Home Other Building Blocks 4-(tert-Butyl)-alpha,alpha-difluorophenylacetic Acid

4-(tert-Butyl)-alpha,alpha-difluorophenylacetic Acid

CAS No.:
1027514-14-2
Catalog Number:
AG01BU93
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$288
- +
1g
95%
1 week
United States
$549
- +
5g
95%
1 week
United States
$2338
- +
Product Description
Catalog Number:
AG01BU93
Chemical Name:
4-(tert-Butyl)-alpha,alpha-difluorophenylacetic Acid
CAS Number:
1027514-14-2
Molecular Formula:
C12H14F2O2
Molecular Weight:
228.2352
MDL Number:
MFCD11007715
IUPAC Name:
2-(4-tert-butylphenyl)-2,2-difluoroacetic acid
InChI:
InChI=1S/C12H14F2O2/c1-11(2,3)8-4-6-9(7-5-8)12(13,14)10(15)16/h4-7H,1-3H3,(H,15,16)
InChI Key:
SQCCTMODTJDWCG-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)C(C)(C)C)(F)F
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.239g/mol
Monoisotopic Mass:
228.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties