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10268-27-6 | Isoquinoline, 1-(4-chlorophenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS No: 10268-27-6 Catalog No: AG00083O MDL No:
Product Description
Catalog Number:
AG00083O
Chemical Name:
Isoquinoline, 1-(4-chlorophenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
CAS Number:
10268-27-6
Molecular Formula:
C17H19Cl2NO2
Molecular Weight:
340.2443
IUPAC Name:
1-(4-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C17H18ClNO2.ClH/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;1H
InChI Key:
IDFYITZZJQASAB-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1ccc(cc1)Cl.Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.244g/mol
Monoisotopic Mass:
339.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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