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85833-54-1 | Acridinium, 10-(5-formyl-2,3-dihydro-2-oxo-4-thiazolyl)-, chloride
CAS No: 85833-54-1 Catalog No: AG004O8G MDL No:
Product Description
Catalog Number:
AG004O8G
Chemical Name:
Acridinium, 10-(5-formyl-2,3-dihydro-2-oxo-4-thiazolyl)-, chloride
CAS Number:
85833-54-1
Molecular Formula:
C17H11ClN2O2S
Molecular Weight:
342.7994
IUPAC Name:
4-acridin-10-ium-10-yl-2-oxo-3H-1,3-thiazole-5-carbaldehyde;chloride
InChI:
InChI=1S/C17H10N2O2S.ClH/c20-10-15-16(18-17(21)22-15)19-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19;/h1-10H;1H
InChI Key:
VUBPGQJOVOMHSM-UHFFFAOYSA-N
SMILES:
O=Cc1sc(=O)[nH]c1[n+]1c2ccccc2cc2c1cccc2.[Cl-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.023g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.797g/mol
Monoisotopic Mass:
342.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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