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Home > Bromides > 1159813-53-2
1159813-53-2 | Isoquinoline, 8-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS No: 1159813-53-2 Catalog No: AG000H9H MDL No:MFCD08752231
Product Description
Catalog Number:
AG000H9H
Chemical Name:
Isoquinoline, 8-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
1159813-53-2
Molecular Formula:
C9H11BrClN
Molecular Weight:
248.5473
MDL Number:
MFCD08752231
IUPAC Name:
8-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C9H10BrN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H
InChI Key:
JKWVDBMVHDRRLD-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1CNCC2.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.548g/mol
Monoisotopic Mass:
246.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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