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1000541-97-8 | 4-Pyridineacetonitrile, 3-fluoro-
CAS No: 1000541-97-8 Catalog No: AG0000PK MDL No:
Product Description
Catalog Number:
AG0000PK
Chemical Name:
4-Pyridineacetonitrile, 3-fluoro-
CAS Number:
1000541-97-8
Molecular Formula:
C7H5FN2
Molecular Weight:
136.1264
IUPAC Name:
2-(3-fluoropyridin-4-yl)acetonitrile
InChI:
InChI=1S/C7H5FN2/c8-7-5-10-4-2-6(7)1-3-9/h2,4-5H,1H2
InChI Key:
JUKNSARUDZZIBT-UHFFFAOYSA-N
SMILES:
N#CCc1ccncc1F
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.129g/mol
Monoisotopic Mass:
136.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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