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144624-27-1 | Quinoline, 2-butyl-4-chloro-
CAS No: 144624-27-1 Catalog No: AG001JVR MDL No:MFCD20491419
Product Description
Catalog Number:
AG001JVR
Chemical Name:
Quinoline, 2-butyl-4-chloro-
CAS Number:
144624-27-1
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
MDL Number:
MFCD20491419
IUPAC Name:
2-butyl-4-chloroquinoline
InChI:
InChI=1S/C13H14ClN/c1-2-3-6-10-9-12(14)11-7-4-5-8-13(11)15-10/h4-5,7-9H,2-3,6H2,1H3
InChI Key:
XSCKPTWTCYQMPD-UHFFFAOYSA-N
SMILES:
CCCCc1cc(Cl)c2c(n1)cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.712g/mol
Monoisotopic Mass:
219.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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