Home Sulfos 1,4-Benzoxazepine-7-sulfonyl chloride, 2,3,4,5-tetrahydro-5-oxo-

1,4-Benzoxazepine-7-sulfonyl chloride, 2,3,4,5-tetrahydro-5-oxo-

CAS No.:
919091-52-4
Catalog Number:
AG0068ZF
Molecular Formula:
C9H8ClNO4S
Molecular Weight:
261.6821
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Product Description
Catalog Number:
AG0068ZF
Chemical Name:
1,4-Benzoxazepine-7-sulfonyl chloride, 2,3,4,5-tetrahydro-5-oxo-
CAS Number:
919091-52-4
Molecular Formula:
C9H8ClNO4S
Molecular Weight:
261.6821
MDL Number:
MFCD22416192
IUPAC Name:
5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO4S/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)
InChI Key:
ZGRKUHQSLAKKEJ-UHFFFAOYSA-N
SMILES:
O=C1NCCOc2c1cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.986g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.676g/mol
Monoisotopic Mass:
260.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties