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127007-44-7 | 4H-3,1-Benzothiazin-4-one, 2-(2-benzoxazolyl)-
CAS No: 127007-44-7 Catalog No: AG000WKD MDL No:
Product Description
Catalog Number:
AG000WKD
Chemical Name:
4H-3,1-Benzothiazin-4-one, 2-(2-benzoxazolyl)-
CAS Number:
127007-44-7
Molecular Formula:
C15H8N2O2S
Molecular Weight:
280.3012
IUPAC Name:
2-(1,3-benzoxazol-2-yl)-3,1-benzothiazin-4-one
InChI:
InChI=1S/C15H8N2O2S/c18-15-9-5-1-2-6-10(9)17-14(20-15)13-16-11-7-3-4-8-12(11)19-13/h1-8H
InChI Key:
JSTDALRSCZBLIC-UHFFFAOYSA-N
SMILES:
O=c1sc(nc2c1cccc2)c1nc2c(o1)cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.301g/mol
Monoisotopic Mass:
280.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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