Home Other Building Blocks 3-fluoro-2,2-dimethyl-3-phenylpropanoic acid

3-fluoro-2,2-dimethyl-3-phenylpropanoic acid

CAS No.:
791017-12-4
Catalog Number:
AG01BHVM
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
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Product Description
Catalog Number:
AG01BHVM
Chemical Name:
3-fluoro-2,2-dimethyl-3-phenylpropanoic acid
CAS Number:
791017-12-4
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
MDL Number:
MFCD31421290
IUPAC Name:
3-fluoro-2,2-dimethyl-3-phenylpropanoic acid
InChI:
InChI=1S/C11H13FO2/c1-11(2,10(13)14)9(12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,13,14)
InChI Key:
HRNNRRFJUGQSJL-UHFFFAOYSA-N
SMILES:
FC(C(C(=O)O)(C)C)c1ccccc1
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.221g/mol
Monoisotopic Mass:
196.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties