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Home > Fluorides > 145689-34-5
145689-34-5 | Benzeneacetonitrile, 2,3-difluoro-
CAS No: 145689-34-5 Catalog No: AG001DB5 MDL No:MFCD00061277
Product Description
Catalog Number:
AG001DB5
Chemical Name:
Benzeneacetonitrile, 2,3-difluoro-
CAS Number:
145689-34-5
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD00061277
IUPAC Name:
2-(2,3-difluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5F2N/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2
InChI Key:
IYRCHGRRMKOSHW-UHFFFAOYSA-N
SMILES:
Fc1c(CC#N)cccc1F
Properties
Complexity:
172
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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