Home Nitriles Benzeneacetonitrile, 2,6-difluoro-3-methyl-

Benzeneacetonitrile, 2,6-difluoro-3-methyl-

CAS No.:
261944-04-1
Catalog Number:
AG002S5W
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
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Product Description
Catalog Number:
AG002S5W
Chemical Name:
Benzeneacetonitrile, 2,6-difluoro-3-methyl-
CAS Number:
261944-04-1
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
MDL Number:
MFCD01631337
IUPAC Name:
2-(2,6-difluoro-3-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H7F2N/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4H2,1H3
InChI Key:
GFRRAKSFMPQZLY-UHFFFAOYSA-N
SMILES:
N#CCc1c(F)ccc(c1F)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.159g/mol
Monoisotopic Mass:
167.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties