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929972-99-6 | 2-hydrazinyl-5-(piperidine-1-sulfonyl)-1,3-benzoxazole
CAS No: 929972-99-6 Catalog No: AG019Q85 MDL No:MFCD09040752
Product Description
Catalog Number:
AG019Q85
Chemical Name:
2-hydrazinyl-5-(piperidine-1-sulfonyl)-1,3-benzoxazole
CAS Number:
929972-99-6
Molecular Formula:
C12H16N4O3S
Molecular Weight:
296.3454
MDL Number:
MFCD09040752
IUPAC Name:
(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)hydrazine
InChI:
InChI=1S/C12H16N4O3S/c13-15-12-14-10-8-9(4-5-11(10)19-12)20(17,18)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,13H2,(H,14,15)
InChI Key:
QMPJOZLHPKOIKR-UHFFFAOYSA-N
SMILES:
NNc1oc2c(n1)cc(cc2)S(=O)(=O)N1CCCCC1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.345g/mol
Monoisotopic Mass:
296.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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