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17931-24-7 | Naphtho[2,1-d]thiazol-2(3H)-one
CAS No: 17931-24-7 Catalog No: AG0026WY MDL No:
Product Description
Catalog Number:
AG0026WY
Chemical Name:
Naphtho[2,1-d]thiazol-2(3H)-one
CAS Number:
17931-24-7
Molecular Formula:
C11H7NOS
Molecular Weight:
201.2444
IUPAC Name:
3H-benzo[g][1,3]benzothiazol-2-one
InChI:
InChI=1S/C11H7NOS/c13-11-12-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H,12,13)
InChI Key:
VKMBJEVQTGGMGN-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)ccc1c2cccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.243g/mol
Monoisotopic Mass:
201.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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