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Home > Nitro Compounds > 174648-95-4
174648-95-4 | Isoquinoline, 1,2,3,4-tetrahydro-8-nitro-, hydrochloride (1:1)
CAS No: 174648-95-4 Catalog No: AG001ZTV MDL No:
Product Description
Catalog Number:
AG001ZTV
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-8-nitro-, hydrochloride (1:1)
CAS Number:
174648-95-4
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
IUPAC Name:
8-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C9H10N2O2.ClH/c12-11(13)9-3-1-2-7-4-5-10-6-8(7)9;/h1-3,10H,4-6H2;1H
InChI Key:
SWLQIBARSLFUDF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1CNCC2.Cl
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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