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1172-37-8 | Pyridinium, 4-[4-(dimethylamino)phenyl]-1-(2,4-dinitrophenyl)-, chloride (1:1)
CAS No: 1172-37-8 Catalog No: AG000DX0 MDL No:
Product Description
Catalog Number:
AG000DX0
Chemical Name:
Pyridinium, 4-[4-(dimethylamino)phenyl]-1-(2,4-dinitrophenyl)-, chloride (1:1)
CAS Number:
1172-37-8
Molecular Formula:
C19H17ClN4O4
Molecular Weight:
400.8157
IUPAC Name:
4-[1-(2,4-dinitrophenyl)pyridin-1-ium-4-yl]-N,N-dimethylaniline;chloride
InChI:
InChI=1S/C19H17N4O4.ClH/c1-20(2)16-5-3-14(4-6-16)15-9-11-21(12-10-15)18-8-7-17(22(24)25)13-19(18)23(26)27;/h3-13H,1-2H3;1H/q+1;/p-1
InChI Key:
CMBQXPGSZJOQJC-UHFFFAOYSA-M
SMILES:
CN(c1ccc(cc1)c1cc[n+](cc1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C.[Cl-]
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.819g/mol
Monoisotopic Mass:
400.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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