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1227513-54-3 | 3-Pyridineacetonitrile, 5-chloro-6-fluoro-
CAS No: 1227513-54-3 Catalog No: AG000J9K MDL No:
Product Description
Catalog Number:
AG000J9K
Chemical Name:
3-Pyridineacetonitrile, 5-chloro-6-fluoro-
CAS Number:
1227513-54-3
Molecular Formula:
C7H4ClFN2
Molecular Weight:
170.5715
IUPAC Name:
2-(5-chloro-6-fluoropyridin-3-yl)acetonitrile
InChI:
InChI=1S/C7H4ClFN2/c8-6-3-5(1-2-10)4-11-7(6)9/h3-4H,1H2
InChI Key:
ZVSQQVQANYGEQV-UHFFFAOYSA-N
SMILES:
N#CCc1cnc(c(c1)Cl)F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.571g/mol
Monoisotopic Mass:
170.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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