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1150103-22-2 | 3-Pyridinecarbonitrile, 6-chloro-2-ethyl-
CAS No: 1150103-22-2 Catalog No: AG000FM0 MDL No:MFCD18803154
Product Description
Catalog Number:
AG000FM0
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-2-ethyl-
CAS Number:
1150103-22-2
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD18803154
IUPAC Name:
6-chloro-2-ethylpyridine-3-carbonitrile
InChI:
InChI=1S/C8H7ClN2/c1-2-7-6(5-10)3-4-8(9)11-7/h3-4H,2H2,1H3
InChI Key:
XXOOADFBVXHURU-UHFFFAOYSA-N
SMILES:
CCc1nc(Cl)ccc1C#N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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