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1227572-25-9 | 2-Pyridineacetonitrile, 5-chloro-3-fluoro-
CAS No: 1227572-25-9 Catalog No: AG000JB8 MDL No:MFCD16608835
Product Description
Catalog Number:
AG000JB8
Chemical Name:
2-Pyridineacetonitrile, 5-chloro-3-fluoro-
CAS Number:
1227572-25-9
Molecular Formula:
C7H4ClFN2
Molecular Weight:
170.5715
MDL Number:
MFCD16608835
IUPAC Name:
2-(5-chloro-3-fluoropyridin-2-yl)acetonitrile
InChI:
InChI=1S/C7H4ClFN2/c8-5-3-6(9)7(1-2-10)11-4-5/h3-4H,1H2
InChI Key:
LHNIARQWANVJKF-UHFFFAOYSA-N
SMILES:
N#CCc1ncc(cc1F)Cl
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:
1.3
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