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1400566-21-3 | 3-OXO-4-(P-TOLYL)-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-7-CARBONITRILE
CAS No: 1400566-21-3 Catalog No: AG01DKZ9 MDL No:
Product Description
Catalog Number:
AG01DKZ9
Chemical Name:
3-OXO-4-(P-TOLYL)-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-7-CARBONITRILE
CAS Number:
1400566-21-3
IUPAC Name:
4-(4-methylphenyl)-3-oxo-1,4-benzothiazine-7-carbonitrile
InChI:
InChI=1S/C16H12N2OS/c1-11-2-5-13(6-3-11)18-14-7-4-12(9-17)8-15(14)20-10-16(18)19/h2-8H,10H2,1H3
InChI Key:
LCRMBVHFYPHHRD-UHFFFAOYSA-N
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.345g/mol
Monoisotopic Mass:
280.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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