Home Other Building Blocks 3,3-difluoro-2-phenylbutanoic acid

3,3-difluoro-2-phenylbutanoic acid

CAS No.:
1781559-56-5
Catalog Number:
AG01DYWK
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
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Product Description
Catalog Number:
AG01DYWK
Chemical Name:
3,3-difluoro-2-phenylbutanoic acid
CAS Number:
1781559-56-5
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
MDL Number:
MFCD31667679
IUPAC Name:
3,3-difluoro-2-phenylbutanoic acid
InChI:
InChI=1S/C10H10F2O2/c1-10(11,12)8(9(13)14)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,13,14)
InChI Key:
AWWDLBSVZSUFCN-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(F)(F)C)c1ccccc1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.065g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.185g/mol
Monoisotopic Mass:
200.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties