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Home > Nitro Compounds > 174648-98-7
174648-98-7 | Isoquinoline, 1,2,3,4-tetrahydro-6-nitro-, hydrochloride (1:1)
CAS No: 174648-98-7 Catalog No: AG001ZTU MDL No:MFCD08059288
Product Description
Catalog Number:
AG001ZTU
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6-nitro-, hydrochloride (1:1)
CAS Number:
174648-98-7
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
MDL Number:
MFCD08059288
IUPAC Name:
6-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C9H10N2O2.ClH/c12-11(13)9-2-1-8-6-10-4-3-7(8)5-9;/h1-2,5,10H,3-4,6H2;1H
InChI Key:
NUFVUSRESXWUGA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CCNC2.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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