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1187169-62-5 | 4-(4-Isopropylbenzoyl)isoquinoline
CAS No: 1187169-62-5 Catalog No: AG01FE2Y MDL No:
Product Description
Catalog Number:
AG01FE2Y
Chemical Name:
4-(4-Isopropylbenzoyl)isoquinoline
CAS Number:
1187169-62-5
Molecular Formula:
C19H17NO
Molecular Weight:
275.3444
IUPAC Name:
isoquinolin-4-yl-(4-propan-2-ylphenyl)methanone
InChI:
InChI=1S/C19H17NO/c1-13(2)14-7-9-15(10-8-14)19(21)18-12-20-11-16-5-3-4-6-17(16)18/h3-13H,1-2H3
InChI Key:
DTZDZGZGWZUDLT-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1ccc(cc1)C(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.351g/mol
Monoisotopic Mass:
275.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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