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88347-17-5 | 8-Quinolinecarbonitrile, 3-chloro-7-(pentylamino)-
CAS No: 88347-17-5 Catalog No: AG0045ZO MDL No:
Product Description
Catalog Number:
AG0045ZO
Chemical Name:
8-Quinolinecarbonitrile, 3-chloro-7-(pentylamino)-
CAS Number:
88347-17-5
Molecular Formula:
C15H16ClN3
Molecular Weight:
273.7606
IUPAC Name:
3-chloro-7-(pentylamino)quinoline-8-carbonitrile
InChI:
InChI=1S/C15H16ClN3/c1-2-3-4-7-18-14-6-5-11-8-12(16)10-19-15(11)13(14)9-17/h5-6,8,10,18H,2-4,7H2,1H3
InChI Key:
YDGSDBBZRFOBRL-UHFFFAOYSA-N
SMILES:
CCCCCNc1ccc2c(c1C#N)ncc(c2)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.764g/mol
Monoisotopic Mass:
273.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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