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91534-25-7 | 2,1-Benzisothiazole, 3-azido-
CAS No: 91534-25-7 Catalog No: AG0069IO MDL No:MFCD23938554
Product Description
Catalog Number:
AG0069IO
Chemical Name:
2,1-Benzisothiazole, 3-azido-
CAS Number:
91534-25-7
Molecular Formula:
C7H4N4S
Molecular Weight:
176.1985
MDL Number:
MFCD23938554
IUPAC Name:
3-azido-2,1-benzothiazole
InChI:
InChI=1S/C7H4N4S/c8-11-9-7-5-3-1-2-4-6(5)10-12-7/h1-4H
InChI Key:
NXCNLQYEIGWXJV-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1snc2c1cccc2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.197g/mol
Monoisotopic Mass:
176.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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