Home Halogens 2,2-dichloro-2-(4-fluorophenyl)acetonitrile

2,2-dichloro-2-(4-fluorophenyl)acetonitrile

CAS No.:
1989672-49-2
Catalog Number:
AG01B5RJ
Molecular Formula:
C8H4Cl2FN
Molecular Weight:
204.0285
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Product Description
Catalog Number:
AG01B5RJ
Chemical Name:
2,2-dichloro-2-(4-fluorophenyl)acetonitrile
CAS Number:
1989672-49-2
Molecular Formula:
C8H4Cl2FN
Molecular Weight:
204.0285
MDL Number:
MFCD30342779
IUPAC Name:
2,2-dichloro-2-(4-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4Cl2FN/c9-8(10,5-12)6-1-3-7(11)4-2-6/h1-4H
InChI Key:
GCFIAZJBRQOVHP-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)F)(Cl)Cl
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.97g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.025g/mol
Monoisotopic Mass:
202.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties