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Home > Nitro Compounds > 82773-10-2
82773-10-2 | 3-Nitrobenzothiazolo(3,2-a)quinolinium chloride
CAS No: 82773-10-2 Catalog No: AG0056JU MDL No:
Product Description
Catalog Number:
AG0056JU
Chemical Name:
3-Nitrobenzothiazolo(3,2-a)quinolinium chloride
CAS Number:
82773-10-2
Molecular Formula:
C15H9ClN2O2S
Molecular Weight:
316.7622
IUPAC Name:
3-nitro-[1,3]benzothiazolo[3,2-a]quinolin-12-ium;perchlorate
InChI:
InChI=1S/C15H9N2O2S.ClHO4/c18-17(19)11-6-7-12-10(9-11)5-8-15-16(12)13-3-1-2-4-14(13)20-15;2-1(3,4)5/h1-9H;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KBQPLFNYBSFICZ-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccc1[n+]2c2ccccc2s1.[Cl-]
NSC Number:
369764
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.987g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.755g/mol
Monoisotopic Mass:
379.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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