Home Sulfos 2(3H)-Benzoxazolone,6-[(2-hydroxyethyl)sulfonyl]-

2(3H)-Benzoxazolone,6-[(2-hydroxyethyl)sulfonyl]-

CAS No.:
5031-74-3
Catalog Number:
AG00I911
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
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Product Description
Catalog Number:
AG00I911
Chemical Name:
2(3H)-Benzoxazolone,6-[(2-hydroxyethyl)sulfonyl]-
CAS Number:
5031-74-3
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
MDL Number:
MFCD03094038
IUPAC Name:
6-(2-hydroxyethylsulfonyl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C9H9NO5S/c11-3-4-16(13,14)6-1-2-7-8(5-6)15-9(12)10-7/h1-2,5,11H,3-4H2,(H,10,12)
InChI Key:
NLKFSULXKPSHMS-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1ccc2c(c1)oc(=O)[nH]2
EC Number:
225-722-5
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.233g/mol
Monoisotopic Mass:
243.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties