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116757-17-6 | 2(3H)-Benzothiazolone, 3-(azidomethyl)-6-methyl-
CAS No: 116757-17-6 Catalog No: AG009P60 MDL No:
Product Description
Catalog Number:
AG009P60
Chemical Name:
2(3H)-Benzothiazolone, 3-(azidomethyl)-6-methyl-
CAS Number:
116757-17-6
IUPAC Name:
3-(azidomethyl)-6-methyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H8N4OS/c1-6-2-3-7-8(4-6)15-9(14)13(7)5-11-12-10/h2-4H,5H2,1H3
InChI Key:
SJVVXZJGAHBBOD-UHFFFAOYSA-N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.25g/mol
Monoisotopic Mass:
220.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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