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88307-73-7 | Phenol, 4-bromo-2-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-
CAS No: 88307-73-7 Catalog No: AG0048OI MDL No:
Product Description
Catalog Number:
AG0048OI
Chemical Name:
Phenol, 4-bromo-2-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl)-
CAS Number:
88307-73-7
Molecular Formula:
C17H18BrNO3
Molecular Weight:
364.2337
IUPAC Name:
4-bromo-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
InChI:
InChI=1S/C17H18BrNO3/c1-21-15-7-10-5-6-19-17(12(10)9-16(15)22-2)13-8-11(18)3-4-14(13)20/h3-4,7-9,17,19-20H,5-6H2,1-2H3
InChI Key:
IACLQLCVZLFYQT-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNC2c1cc(Br)ccc1O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.239g/mol
Monoisotopic Mass:
363.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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