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1187169-10-3 | 3-(4-tert-Butylbenzoyl)quinoline
CAS No: 1187169-10-3 Catalog No: AG01FEKV MDL No:
Product Description
Catalog Number:
AG01FEKV
Chemical Name:
3-(4-tert-Butylbenzoyl)quinoline
CAS Number:
1187169-10-3
Molecular Formula:
C20H19NO
Molecular Weight:
289.3710
IUPAC Name:
(4-tert-butylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C20H19NO/c1-20(2,3)17-10-8-14(9-11-17)19(22)16-12-15-6-4-5-7-18(15)21-13-16/h4-13H,1-3H3
InChI Key:
AZUHVXQGYCYEMD-UHFFFAOYSA-N
SMILES:
O=C(c1cnc2c(c1)cccc2)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.378g/mol
Monoisotopic Mass:
289.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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