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27685-90-1 | 6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo-
CAS No: 27685-90-1 Catalog No: AG002UFU MDL No:MFCD03001119
Product Description
Catalog Number:
AG002UFU
Chemical Name:
6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo-
CAS Number:
27685-90-1
Molecular Formula:
C7H4ClNO4S
Molecular Weight:
233.6290
MDL Number:
MFCD03001119
IUPAC Name:
2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)
InChI Key:
IBHCNMJSVDRBSY-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)cc(cc2)S(=O)(=O)Cl
EC Number:
248-605-0
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.622g/mol
Monoisotopic Mass:
232.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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