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874765-99-8 | 4-(1H-Tetrazol-5-ylmethyl)-2H-1,4-benzothiazin-3(4H)-one
CAS No: 874765-99-8 Catalog No: AG003JY5 MDL No:
Product Description
Catalog Number:
AG003JY5
Chemical Name:
4-(1H-Tetrazol-5-ylmethyl)-2H-1,4-benzothiazin-3(4H)-one
CAS Number:
874765-99-8
IUPAC Name:
4-(2H-tetrazol-5-ylmethyl)-1,4-benzothiazin-3-one
InChI:
InChI=1S/C10H9N5OS/c16-10-6-17-8-4-2-1-3-7(8)15(10)5-9-11-13-14-12-9/h1-4H,5-6H2,(H,11,12,13,14)
InChI Key:
XCXZEKFJJCQKJQ-UHFFFAOYSA-N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.276g/mol
Monoisotopic Mass:
247.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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