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109967-34-2 | Naphtho[1,2-d]thiazol-2(1H)-one
CAS No: 109967-34-2 Catalog No: AG0084NL MDL No:
Product Description
Catalog Number:
AG0084NL
Chemical Name:
Naphtho[1,2-d]thiazol-2(1H)-one
CAS Number:
109967-34-2
Molecular Formula:
C11H7NOS
Molecular Weight:
201.2444
IUPAC Name:
1H-benzo[e][1,3]benzothiazol-2-one
InChI:
InChI=1S/C11H7NOS/c13-11-12-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H,12,13)
InChI Key:
NZROULYDNUMFJI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(s1)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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