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78633-41-7 | 5-Benzoxazolesulfonylchloride, 2,3-dihydro-2-oxo-
CAS No: 78633-41-7 Catalog No: AG008M8B MDL No:MFCD04629624
Product Description
Catalog Number:
AG008M8B
Chemical Name:
5-Benzoxazolesulfonylchloride, 2,3-dihydro-2-oxo-
CAS Number:
78633-41-7
Molecular Formula:
C7H4ClNO4S
Molecular Weight:
233.6290
MDL Number:
MFCD04629624
IUPAC Name:
2-oxo-3H-1,3-benzoxazole-5-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO4S/c8-14(11,12)4-1-2-6-5(3-4)9-7(10)13-6/h1-3H,(H,9,10)
InChI Key:
SPGGKDKJSMZXMT-UHFFFAOYSA-N
SMILES:
O=c1oc2c([nH]1)cc(cc2)S(=O)(=O)Cl
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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