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828286-17-5 | Isoquinoline, 2-(4-chlorobenzoyl)-1-(2-chlorophenyl)-1,2,3,4-tetrahydro-
CAS No: 828286-17-5 Catalog No: AG004SMR MDL No:
Product Description
Catalog Number:
AG004SMR
Chemical Name:
Isoquinoline, 2-(4-chlorobenzoyl)-1-(2-chlorophenyl)-1,2,3,4-tetrahydro-
CAS Number:
828286-17-5
Molecular Formula:
C22H17Cl2NO
Molecular Weight:
382.2825
IUPAC Name:
(4-chlorophenyl)-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
InChI:
InChI=1S/C22H17Cl2NO/c23-17-11-9-16(10-12-17)22(26)25-14-13-15-5-1-2-6-18(15)21(25)19-7-3-4-8-20(19)24/h1-12,21H,13-14H2
InChI Key:
RRDWOQPYKDHNSA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)N1CCc2c(C1c1ccccc1Cl)cccc2
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.069g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.284g/mol
Monoisotopic Mass:
381.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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