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130754-18-6 | Benzeneacetonitrile, α,4-difluoro-
CAS No: 130754-18-6 Catalog No: AG000UWK MDL No:
Product Description
Catalog Number:
AG000UWK
Chemical Name:
Benzeneacetonitrile, α,4-difluoro-
CAS Number:
130754-18-6
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
IUPAC Name:
2-fluoro-2-(4-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5F2N/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H
InChI Key:
TYRBKHLDZNUEGI-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)F)C#N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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