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1443982-07-7 | 5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
CAS No: 1443982-07-7 Catalog No: AG01A54Y MDL No:MFCD24842795
Product Description
Catalog Number:
AG01A54Y
Chemical Name:
5-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
CAS Number:
1443982-07-7
Molecular Formula:
C9H10N2O4S
Molecular Weight:
242.2517
MDL Number:
MFCD24842795
IUPAC Name:
5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-sulfonamide
InChI:
InChI=1S/C9H10N2O4S/c10-16(13,14)6-1-2-8-7(5-6)9(12)11-3-4-15-8/h1-2,5H,3-4H2,(H,11,12)(H2,10,13,14)
InChI Key:
NSNVZRXIQORPOZ-UHFFFAOYSA-N
SMILES:
O=C1NCCOc2c1cc(cc2)S(=O)(=O)N
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.249g/mol
Monoisotopic Mass:
242.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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