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1404491-67-3 | Quinoline, 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-
CAS No: 1404491-67-3 Catalog No: AG001CFX MDL No:MFCD28991983
Product Description
Catalog Number:
AG001CFX
Chemical Name:
Quinoline, 2-(3,5-dimethylphenyl)-5-(2-methylpropyl)-
CAS Number:
1404491-67-3
Molecular Formula:
C21H23N
Molecular Weight:
289.4140
MDL Number:
MFCD28991983
IUPAC Name:
2-(3,5-dimethylphenyl)-5-(2-methylpropyl)quinoline
InChI:
InChI=1S/C21H23N/c1-14(2)10-17-6-5-7-21-19(17)8-9-20(22-21)18-12-15(3)11-16(4)13-18/h5-9,11-14H,10H2,1-4H3
InChI Key:
YGPAVZADFDNQFB-UHFFFAOYSA-N
SMILES:
CC(Cc1cccc2c1ccc(n2)c1cc(C)cc(c1)C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.422g/mol
Monoisotopic Mass:
289.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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