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Home > Nitro Compounds > 1824065-43-1
1824065-43-1 | Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-8-nitro-, hydrochloride (1:1)
CAS No: 1824065-43-1 Catalog No: AG0023TZ MDL No:MFCD28133461
Product Description
Catalog Number:
AG0023TZ
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-8-nitro-, hydrochloride (1:1)
CAS Number:
1824065-43-1
Molecular Formula:
C10H13ClN2O3
Molecular Weight:
244.6748
MDL Number:
MFCD28133461
IUPAC Name:
7-methoxy-8-nitro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C10H12N2O3.ClH/c1-15-9-3-2-7-4-5-11-6-8(7)10(9)12(13)14;/h2-3,11H,4-6H2,1H3;1H
InChI Key:
ACDHPWGAVLQVFU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])CNCC2.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.675g/mol
Monoisotopic Mass:
244.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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