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Halogens
1-(4-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
1-(4-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS No.:
55507-15-8
Catalog Number:
AG00DQMJ
Molecular Formula:
C17H18ClNO2
Molecular Weight:
303.7833
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Product Description
Catalog Number:
AG00DQMJ
Chemical Name:
1-(4-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CAS Number:
55507-15-8
Molecular Formula:
C17H18ClNO2
Molecular Weight:
303.7833
MDL Number:
MFCD00543836
IUPAC Name:
1-(4-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C17H18ClNO2/c1-20-15-9-12-7-8-19-17(14(12)10-16(15)21-2)11-3-5-13(18)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3
InChI Key:
NYOFLAMHIMULAO-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1ccc(cc1)Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.786g/mol
Monoisotopic Mass:
303.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
Title
Journal
Synthesis and evaluation of pharmacological profile of 1-aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamides.
Bioorganic & medicinal chemistry 20090515
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Properties