Home Other Building Blocks 4-(4-fluorophenyl)-2-methylbutanoic acid

4-(4-fluorophenyl)-2-methylbutanoic acid

CAS No.:
1226160-80-0
Catalog Number:
AG01C01D
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
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Product Description
Catalog Number:
AG01C01D
Chemical Name:
4-(4-fluorophenyl)-2-methylbutanoic acid
CAS Number:
1226160-80-0
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
MDL Number:
MFCD16304269
IUPAC Name:
4-(4-fluorophenyl)-2-methylbutanoic acid
InChI:
InChI=1S/C11H13FO2/c1-8(11(13)14)2-3-9-4-6-10(12)7-5-9/h4-8H,2-3H2,1H3,(H,13,14)
InChI Key:
DZMQKOTUKZOAMS-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CCc1ccc(cc1)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:
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:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties