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88346-99-0 | 8-Quinolinecarbonitrile, 7-(butylamino)-3-chloro-
CAS No: 88346-99-0 Catalog No: AG0045ZT MDL No:
Product Description
Catalog Number:
AG0045ZT
Chemical Name:
8-Quinolinecarbonitrile, 7-(butylamino)-3-chloro-
CAS Number:
88346-99-0
Molecular Formula:
C14H14ClN3
Molecular Weight:
259.7341
IUPAC Name:
7-(butylamino)-3-chloroquinoline-8-carbonitrile
InChI:
InChI=1S/C14H14ClN3/c1-2-3-6-17-13-5-4-10-7-11(15)9-18-14(10)12(13)8-16/h4-5,7,9,17H,2-3,6H2,1H3
InChI Key:
ZXVYXHCQVLQTRD-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc2c(c1C#N)ncc(c2)Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.737g/mol
Monoisotopic Mass:
259.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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