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5522-01-0 | 4-Hydroxy-2-methyl-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide
CAS No: 5522-01-0 Catalog No: AG00DYLI MDL No:
Product Description
Catalog Number:
AG00DYLI
Chemical Name:
4-Hydroxy-2-methyl-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide
CAS Number:
5522-01-0
IUPAC Name:
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
InChI:
InChI=1S/C22H18ClN3O5/c1-30-21-11-15(9-10-20(21)31-14-17-5-2-3-8-19(17)23)13-24-25-22(27)16-6-4-7-18(12-16)26(28)29/h2-13H,14H2,1H3,(H,25,27)
InChI Key:
AYNLOQQTTASFFQ-UHFFFAOYSA-N
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.093g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.852g/mol
Monoisotopic Mass:
439.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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