Home Sulfos 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine hydrochloride

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine hydrochloride

CAS No.:
95591-80-3
Catalog Number:
AG019L6A
Molecular Formula:
C12H17ClN2O4S
Molecular Weight:
320.7924
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Product Description
Catalog Number:
AG019L6A
Chemical Name:
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine hydrochloride
CAS Number:
95591-80-3
Molecular Formula:
C12H17ClN2O4S
Molecular Weight:
320.7924
MDL Number:
MFCD02103454
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine;hydrochloride
InChI:
InChI=1S/C12H16N2O4S.ClH/c15-19(16,14-5-3-13-4-6-14)10-1-2-11-12(9-10)18-8-7-17-11;/h1-2,9,13H,3-8H2;1H
InChI Key:
FINYXLXQJZAQPM-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCNCC1.Cl
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.06g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
320.788g/mol
Monoisotopic Mass:
320.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties