Home Other Building Blocks ethyl 2-cyano-3-(3-fluorophenyl)propanoate

ethyl 2-cyano-3-(3-fluorophenyl)propanoate

CAS No.:
526222-65-1
Catalog Number:
AG01B1H7
Molecular Formula:
C12H12FNO2
Molecular Weight:
221.2276
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Product Description
Catalog Number:
AG01B1H7
Chemical Name:
ethyl 2-cyano-3-(3-fluorophenyl)propanoate
CAS Number:
526222-65-1
Molecular Formula:
C12H12FNO2
Molecular Weight:
221.2276
MDL Number:
MFCD06210906
IUPAC Name:
ethyl 2-cyano-3-(3-fluorophenyl)propanoate
InChI:
InChI=1S/C12H12FNO2/c1-2-16-12(15)10(8-14)6-9-4-3-5-11(13)7-9/h3-5,7,10H,2,6H2,1H3
InChI Key:
ZFXIUCBNACRZGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Cc1cccc(c1)F)C#N
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.231g/mol
Monoisotopic Mass:
221.085g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties