Home Other Building Blocks 3,3-difluoro-3-phenylpropanoic acid

3,3-difluoro-3-phenylpropanoic acid

CAS No.:
1507967-83-0
Catalog Number:
AG01B68U
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
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Product Description
Catalog Number:
AG01B68U
Chemical Name:
3,3-difluoro-3-phenylpropanoic acid
CAS Number:
1507967-83-0
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD30323132
IUPAC Name:
3,3-difluoro-3-phenylpropanoic acid
InChI:
InChI=1S/C9H8F2O2/c10-9(11,6-8(12)13)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)
InChI Key:
RQWQHUMEKKWWMN-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)(F)F
Properties
Complexity:
186  
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:
1.9  
Properties