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890100-76-2 | 5-(2-CHLORO-PYRIDIN-3-YL)-5-OXOVALERONITRILE
CAS No: 890100-76-2 Catalog No: AG0044NE MDL No:
Product Description
Catalog Number:
AG0044NE
Chemical Name:
5-(2-CHLORO-PYRIDIN-3-YL)-5-OXOVALERONITRILE
CAS Number:
890100-76-2
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
IUPAC Name:
5-(2-chloropyridin-3-yl)-5-oxopentanenitrile
InChI:
InChI=1S/C10H9ClN2O/c11-10-8(4-3-7-13-10)9(14)5-1-2-6-12/h3-4,7H,1-2,5H2
InChI Key:
AJPJQBOWWOLZLI-UHFFFAOYSA-N
SMILES:
Clc1ncccc1C(=O)CCCC#N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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