Home Nitriles 4-ethoxy-3-fluorobenzonitrile

4-ethoxy-3-fluorobenzonitrile

CAS No.:
1156079-46-7
Catalog Number:
AG01BF6X
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
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Product Description
Catalog Number:
AG01BF6X
Chemical Name:
4-ethoxy-3-fluorobenzonitrile
CAS Number:
1156079-46-7
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD12110223
IUPAC Name:
4-ethoxy-3-fluorobenzonitrile
InChI:
InChI=1S/C9H8FNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2H2,1H3
InChI Key:
KLPLJKKEZVSCEJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1F)C#N
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties