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1187168-03-1 | 4-(2,4-Dichlorobenzoyl)isoquinoline
CAS No: 1187168-03-1 Catalog No: AG01FDS5 MDL No:
Product Description
Catalog Number:
AG01FDS5
Chemical Name:
4-(2,4-Dichlorobenzoyl)isoquinoline
CAS Number:
1187168-03-1
Molecular Formula:
C16H9Cl2NO
Molecular Weight:
302.1548
IUPAC Name:
(2,4-dichlorophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H9Cl2NO/c17-11-5-6-13(15(18)7-11)16(20)14-9-19-8-10-3-1-2-4-12(10)14/h1-9H
InChI Key:
JKXJEVQCIMMJAO-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(=O)c1cncc2c1cccc2
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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