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

2-cyano-3-(4-fluorophenyl)prop-2-enoic acid

CAS No.:
122520-74-5
Catalog Number:
AG019IFW
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
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Product Description
Catalog Number:
AG019IFW
Chemical Name:
2-cyano-3-(4-fluorophenyl)prop-2-enoic acid
CAS Number:
122520-74-5
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
MDL Number:
MFCD04612001
IUPAC Name:
2-cyano-3-(4-fluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)
InChI Key:
OBZAFMILNGLRAL-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)F)C(=O)O
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.161g/mol
Monoisotopic Mass:
191.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  
Properties