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1000565-45-6 | 4-Pyridineacetonitrile, 2-chloro-
CAS No: 1000565-45-6 Catalog No: AG0000Q7 MDL No:
Product Description
Catalog Number:
AG0000Q7
Chemical Name:
4-Pyridineacetonitrile, 2-chloro-
CAS Number:
1000565-45-6
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
IUPAC Name:
2-(2-chloropyridin-4-yl)acetonitrile
InChI:
InChI=1S/C7H5ClN2/c8-7-5-6(1-3-9)2-4-10-7/h2,4-5H,1H2
InChI Key:
JJUUSSZGXKUHJW-UHFFFAOYSA-N
SMILES:
N#CCc1ccnc(c1)Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.581g/mol
Monoisotopic Mass:
152.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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