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1187167-89-0 | 4-(4-Hexylbenzoyl)isoquinoline
CAS No: 1187167-89-0 Catalog No: AG01FEZW MDL No:
Product Description
Catalog Number:
AG01FEZW
Chemical Name:
4-(4-Hexylbenzoyl)isoquinoline
CAS Number:
1187167-89-0
Molecular Formula:
C22H23NO
Molecular Weight:
317.4241
IUPAC Name:
(4-hexylphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C22H23NO/c1-2-3-4-5-8-17-11-13-18(14-12-17)22(24)21-16-23-15-19-9-6-7-10-20(19)21/h6-7,9-16H,2-5,8H2,1H3
InChI Key:
NHYKKRWVHWTOJR-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.432g/mol
Monoisotopic Mass:
317.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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