Home Sulfos 2,4-dioxo-2,4-dihydro-1H-3,1-benzoxazine-6-sulfonyl chloride

2,4-dioxo-2,4-dihydro-1H-3,1-benzoxazine-6-sulfonyl chloride

CAS No.:
74171-22-5
Catalog Number:
AG00ITUM
Molecular Formula:
C8H4ClNO5S
Molecular Weight:
261.6391
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Product Description
Catalog Number:
AG00ITUM
Chemical Name:
2,4-dioxo-2,4-dihydro-1H-3,1-benzoxazine-6-sulfonyl chloride
CAS Number:
74171-22-5
Molecular Formula:
C8H4ClNO5S
Molecular Weight:
261.6391
MDL Number:
MFCD16333889
IUPAC Name:
2,4-dioxo-1H-3,1-benzoxazine-6-sulfonyl chloride
InChI:
InChI=1S/C8H4ClNO5S/c9-16(13,14)4-1-2-6-5(3-4)7(11)15-8(12)10-6/h1-3H,(H,10,12)
InChI Key:
YLRUKOOOADWBQH-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Cl
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.95g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.632g/mol
Monoisotopic Mass:
260.95g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties