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87869-95-2 | Benz[f]isoquinoline, 1,2,3,4-tetrahydro-1-methyl-, hydrochloride
CAS No: 87869-95-2 Catalog No: AG004G5B MDL No:
Product Description
Catalog Number:
AG004G5B
Chemical Name:
Benz[f]isoquinoline, 1,2,3,4-tetrahydro-1-methyl-, hydrochloride
CAS Number:
87869-95-2
Molecular Formula:
C14H16ClN
Molecular Weight:
233.7365
IUPAC Name:
1-methyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline;hydrochloride
InChI:
InChI=1S/C14H15N.ClH/c1-10-8-15-9-12-7-6-11-4-2-3-5-13(11)14(10)12;/h2-7,10,15H,8-9H2,1H3;1H
InChI Key:
RTHVZJVJEPBZEV-UHFFFAOYSA-N
SMILES:
CC1CNCc2c1c1ccccc1cc2.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.739g/mol
Monoisotopic Mass:
233.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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