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1216671-97-4 | 2-Benzothiazolamine, 5-bromo-, 3-oxide
CAS No: 1216671-97-4 Catalog No: AG0015J4 MDL No:MFCD12406142
Product Description
Catalog Number:
AG0015J4
Chemical Name:
2-Benzothiazolamine, 5-bromo-, 3-oxide
CAS Number:
1216671-97-4
Molecular Formula:
C7H5BrN2OS
Molecular Weight:
245.0964
MDL Number:
MFCD12406142
IUPAC Name:
5-bromo-3-hydroxy-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C7H5BrN2OS/c8-4-1-2-6-5(3-4)10(11)7(9)12-6/h1-3,9,11H
InChI Key:
WGPVPIMXJCKFHM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[n+]([O-])c(s2)N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.094g/mol
Monoisotopic Mass:
243.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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