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258-17-3 | 12H-Quinoxalino[2,3-b][1,4]benzothiazine
CAS No: 258-17-3 Catalog No: AG007NLP MDL No:MFCD00275412
Product Description
Catalog Number:
AG007NLP
Chemical Name:
12H-Quinoxalino[2,3-b][1,4]benzothiazine
CAS Number:
258-17-3
Molecular Formula:
C14H9N3S
Molecular Weight:
251.3064
MDL Number:
MFCD00275412
IUPAC Name:
12H-quinoxalino[2,3-b][1,4]benzothiazine
InChI:
InChI=1S/C14H9N3S/c1-2-6-10-9(5-1)15-13-14(17-10)18-12-8-4-3-7-11(12)16-13/h1-8H,(H,15,16)
InChI Key:
YDHFECMXUFRSRV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(N2)nc2c(n1)cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.307g/mol
Monoisotopic Mass:
251.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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