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1187171-65-8 | 4-(4-Isopropoxybenzoyl)isoquinoline
CAS No: 1187171-65-8 Catalog No: AG01FDTH MDL No:
Product Description
Catalog Number:
AG01FDTH
Chemical Name:
4-(4-Isopropoxybenzoyl)isoquinoline
CAS Number:
1187171-65-8
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
isoquinolin-4-yl-(4-propan-2-yloxyphenyl)methanone
InChI:
InChI=1S/C19H17NO2/c1-13(2)22-16-9-7-14(8-10-16)19(21)18-12-20-11-15-5-3-4-6-17(15)18/h3-13H,1-2H3
InChI Key:
NRXQYUSGBBTXJC-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C(=O)c1cncc2c1cccc2)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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