Home Nitriles 2-(4-fluorophenyl)-2-methoxyacetonitrile

2-(4-fluorophenyl)-2-methoxyacetonitrile

CAS No.:
1354961-79-7
Catalog Number:
AG019T4Y
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
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Product Description
Catalog Number:
AG019T4Y
Chemical Name:
2-(4-fluorophenyl)-2-methoxyacetonitrile
CAS Number:
1354961-79-7
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD20731218
IUPAC Name:
2-(4-fluorophenyl)-2-methoxyacetonitrile
InChI:
InChI=1S/C9H8FNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,1H3
InChI Key:
AXZDZULCUNJNHT-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)F)C#N
Properties
Complexity:
178  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties