Home Sulfos 3,4-dihydro-2H-1,5-Benzodioxepin-7-sulfonamide

3,4-dihydro-2H-1,5-Benzodioxepin-7-sulfonamide

CAS No.:
874842-53-2
Catalog Number:
AG00H3UP
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG00H3UP
Chemical Name:
3,4-dihydro-2H-1,5-Benzodioxepin-7-sulfonamide
CAS Number:
874842-53-2
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD07774225
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
InChI:
InChI=1S/C9H11NO4S/c10-15(11,12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2,(H2,10,11,12)
InChI Key:
KWLFDTPZYMAIJK-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc2c(c1)OCCCO2
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties