Home Nitriles Benzeneacetonitrile,5-fluoro-2-methoxy-

Benzeneacetonitrile,5-fluoro-2-methoxy-

CAS No.:
501008-41-9
Catalog Number:
AG006VZX
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
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Product Description
Catalog Number:
AG006VZX
Chemical Name:
Benzeneacetonitrile,5-fluoro-2-methoxy-
CAS Number:
501008-41-9
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD00671773
IUPAC Name:
2-(5-fluoro-2-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8FNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
BHJFTJPFOVONOM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC#N)F
NSC Number:
190369
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:
1.6  
Properties