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1187169-74-9 | 4-(4-Pentylbenzoyl)isoquinoline
CAS No: 1187169-74-9 Catalog No: AG01FETK MDL No:
Product Description
Catalog Number:
AG01FETK
Chemical Name:
4-(4-Pentylbenzoyl)isoquinoline
CAS Number:
1187169-74-9
Molecular Formula:
C21H21NO
Molecular Weight:
303.3975
IUPAC Name:
isoquinolin-4-yl-(4-pentylphenyl)methanone
InChI:
InChI=1S/C21H21NO/c1-2-3-4-7-16-10-12-17(13-11-16)21(23)20-15-22-14-18-8-5-6-9-19(18)20/h5-6,8-15H,2-4,7H2,1H3
InChI Key:
DRYCQYMJLHUTCR-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.405g/mol
Monoisotopic Mass:
303.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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