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209908-46-3 | Naphtho[2,3-d]thiazole-4,9-dione, 2-(4-hydroxyphenyl)-
CAS No: 209908-46-3 Catalog No: AG002KGZ MDL No:
Product Description
Catalog Number:
AG002KGZ
Chemical Name:
Naphtho[2,3-d]thiazole-4,9-dione, 2-(4-hydroxyphenyl)-
CAS Number:
209908-46-3
Molecular Formula:
C17H9NO3S
Molecular Weight:
307.3233
IUPAC Name:
2-(4-hydroxyphenyl)benzo[f][1,3]benzothiazole-4,9-dione
InChI:
InChI=1S/C17H9NO3S/c19-10-7-5-9(6-8-10)17-18-13-14(20)11-3-1-2-4-12(11)15(21)16(13)22-17/h1-8,19H
InChI Key:
MDCMCYIUPVNGCY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c(s1)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.03g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.323g/mol
Monoisotopic Mass:
307.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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