Home Other Building Blocks 2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid

2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid

CAS No.:
1343107-31-2
Catalog Number:
AG01A3M5
Molecular Formula:
C9H5F5O2
Molecular Weight:
240.1268
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Product Description
Catalog Number:
AG01A3M5
Chemical Name:
2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid
CAS Number:
1343107-31-2
Molecular Formula:
C9H5F5O2
Molecular Weight:
240.1268
MDL Number:
MFCD17223370
IUPAC Name:
2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H5F5O2/c10-8(11,7(15)16)5-3-1-2-4-6(5)9(12,13)14/h1-4H,(H,15,16)
InChI Key:
XXGYJZCVWVRSGB-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1C(F)(F)F)(F)F
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.021g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.129g/mol
Monoisotopic Mass:
240.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties