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1187166-59-1 | 4-(4-Butoxybenzoyl)isoquinoline
CAS No: 1187166-59-1 Catalog No: AG01FETC MDL No:
Product Description
Catalog Number:
AG01FETC
Chemical Name:
4-(4-Butoxybenzoyl)isoquinoline
CAS Number:
1187166-59-1
Molecular Formula:
C20H19NO2
Molecular Weight:
305.3704
IUPAC Name:
(4-butoxyphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C20H19NO2/c1-2-3-12-23-17-10-8-15(9-11-17)20(22)19-14-21-13-16-6-4-5-7-18(16)19/h4-11,13-14H,2-3,12H2,1H3
InChI Key:
IEVTYELOIKVFGA-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.377g/mol
Monoisotopic Mass:
305.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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