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88235-20-5 | 1H-2,3-Benzothiazine, 1,1,4-triphenyl-, perchlorate
CAS No: 88235-20-5 Catalog No: AG008B6G MDL No:
Product Description
Catalog Number:
AG008B6G
Chemical Name:
1H-2,3-Benzothiazine, 1,1,4-triphenyl-, perchlorate
CAS Number:
88235-20-5
Molecular Formula:
C26H20ClNO4S
Molecular Weight:
477.9593
IUPAC Name:
perchloric acid;1,1,4-triphenyl-2,3-benzothiazine
InChI:
InChI=1S/C26H19NS.ClHO4/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(28-27-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22;2-1(3,4)5/h1-19H;(H,2,3,4,5)
InChI Key:
DHMREGDPOLYNAX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NSC(c2c1cccc2)(c1ccccc1)c1ccccc1.O[Cl](=O)(=O)=O
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.08g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.959g/mol
Monoisotopic Mass:
477.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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