Home Other Building Blocks 4-(3-fluorophenyl)-2-methylbutanoic acid

4-(3-fluorophenyl)-2-methylbutanoic acid

CAS No.:
1354950-70-1
Catalog Number:
AG019RVE
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
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Product Description
Catalog Number:
AG019RVE
Chemical Name:
4-(3-fluorophenyl)-2-methylbutanoic acid
CAS Number:
1354950-70-1
Molecular Formula:
C11H13FO2
Molecular Weight:
196.2181
MDL Number:
MFCD20501939
IUPAC Name:
4-(3-fluorophenyl)-2-methylbutanoic acid
InChI:
InChI=1S/C11H13FO2/c1-8(11(13)14)5-6-9-3-2-4-10(12)7-9/h2-4,7-8H,5-6H2,1H3,(H,13,14)
InChI Key:
ILSDTZATDNBILC-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCc1cccc(c1)F)C
Properties
Complexity:
194  
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