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59839-23-5 | 1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL HBR
CAS No: 59839-23-5 Catalog No: AG00ECFW MDL No:MFCD08437641
Product Description
Catalog Number:
AG00ECFW
Chemical Name:
1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL HBR
CAS Number:
59839-23-5
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD08437641
IUPAC Name:
1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide
InChI:
InChI=1S/C9H11NO.BrH/c11-9-2-1-8-6-10-4-3-7(8)5-9;/h1-2,5,10-11H,3-4,6H2;1H
InChI Key:
USVPGYXADKFDAI-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CCNC2.Br
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Design and evaluation of fragment-like estrogen receptor tetrahydroisoquinoline ligands from a scaffold-detection approach. | Journal of medicinal chemistry 20110414 |
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