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Home > Nitro Compounds > 33107-14-1
33107-14-1 | 2-(2,4-Dinitrophenyl)isoquinolinium chloride
CAS No: 33107-14-1 Catalog No: AG01EUZ1 MDL No:
Product Description
Catalog Number:
AG01EUZ1
Chemical Name:
2-(2,4-Dinitrophenyl)isoquinolinium chloride
CAS Number:
33107-14-1
Molecular Formula:
C15H10ClN3O4
Molecular Weight:
331.7106
IUPAC Name:
2-(2,4-dinitrophenyl)isoquinolin-2-ium
InChI:
InChI=1S/C15H10N3O4/c19-17(20)13-5-6-14(15(9-13)18(21)22)16-8-7-11-3-1-2-4-12(11)10-16/h1-10H/q+1
InChI Key:
VOBRDRJWLHTGSG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1[n+]1ccc2c(c1)cccc2)[N+](=O)[O-].[Cl-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.067g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.262g/mol
Monoisotopic Mass:
296.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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