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

3-(4-cyano-2-fluorophenyl)propanoic acid

CAS No.:
669002-89-5
Catalog Number:
AG01EK8D
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
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Product Description
Catalog Number:
AG01EK8D
Chemical Name:
3-(4-cyano-2-fluorophenyl)propanoic acid
CAS Number:
669002-89-5
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD20658859
IUPAC Name:
3-(4-cyano-2-fluorophenyl)propanoic acid
InChI:
InChI=1S/C10H8FNO2/c11-9-5-7(6-12)1-2-8(9)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
InChI Key:
UYFHEDUDZUHCBI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)CCC(=O)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.177g/mol
Monoisotopic Mass:
193.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties