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1400566-17-7

1400566-17-7 | 4-BUTYL-3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-7-CARBONITRILE

CAS No: 1400566-17-7 Catalog No: AG01DLF7 MDL No:

Product Description

Catalog Number:
AG01DLF7
Chemical Name:
4-BUTYL-3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-7-CARBONITRILE
CAS Number:
1400566-17-7
IUPAC Name:
4-butyl-3-oxo-1,4-benzothiazine-7-carbonitrile
InChI:
InChI=1S/C13H14N2OS/c1-2-3-6-15-11-5-4-10(8-14)7-12(11)17-9-13(15)16/h4-5,7H,2-3,6,9H2,1H3
InChI Key:
LOLFLAJUKBOYAJ-UHFFFAOYSA-N

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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