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828286-19-7 | Isoquinoline, 2-(3-bromobenzoyl)-1-(2-chlorophenyl)-1,2,3,4-tetrahydro-
CAS No: 828286-19-7 Catalog No: AG004SMQ MDL No:
Product Description
Catalog Number:
AG004SMQ
Chemical Name:
Isoquinoline, 2-(3-bromobenzoyl)-1-(2-chlorophenyl)-1,2,3,4-tetrahydro-
CAS Number:
828286-19-7
Molecular Formula:
C22H17BrClNO
Molecular Weight:
426.7335
IUPAC Name:
(3-bromophenyl)-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
InChI:
InChI=1S/C22H17BrClNO/c23-17-8-5-7-16(14-17)22(26)25-13-12-15-6-1-2-9-18(15)21(25)19-10-3-4-11-20(19)24/h1-11,14,21H,12-13H2
InChI Key:
AUADWLLTUGKYKI-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)N1CCc2c(C1c1ccccc1Cl)cccc2
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.018g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.738g/mol
Monoisotopic Mass:
425.018g/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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