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1187171-74-9 | 4-(3,4-Dichlorobenzoyl)isoquinoline
CAS No: 1187171-74-9 Catalog No: AG01FDTJ MDL No:
Product Description
Catalog Number:
AG01FDTJ
Chemical Name:
4-(3,4-Dichlorobenzoyl)isoquinoline
CAS Number:
1187171-74-9
Molecular Formula:
C16H9Cl2NO
Molecular Weight:
302.1548
IUPAC Name:
(3,4-dichlorophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H9Cl2NO/c17-14-6-5-10(7-15(14)18)16(20)13-9-19-8-11-3-1-2-4-12(11)13/h1-9H
InChI Key:
VRWUZQYOZCSBJT-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.154g/mol
Monoisotopic Mass:
301.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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