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Basic Information
CAS No.: 27685-90-1
Name: 2,3-dihydro-2-oxobenzoxazole-6-sulphonyl chloride
Article Data: 13
Molecular Structure:
Molecular Structure of 27685-90-1 (2,3-dihydro-2-oxobenzoxazole-6-sulphonyl chloride)
Formula: C7H4 Cl N O4 S
Molecular Weight: 233.632
Synonyms: 6-Benzoxazolinesulfonylchloride, 2-oxo- (8CI); 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl Chloride;2-Oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride;2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl chloride
EINECS: 248-605-0
Density: 1.683 g/cm3
Melting Point: 186-187℃
PSA: 88.52000
LogP: 2.12940
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Chemistry


IUPAC Name: 2-Oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2
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)
InChIKey: IBHCNMJSVDRBSY-UHFFFAOYSA-N
Molecular Weight: 233.62896 [g/mol]
Molecular Formula: C7H4ClNO4S
XLogP3: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 232.954956
MonoIsotopic Mass: 232.954956
Topological Polar Surface Area: 72.5
Heavy Atom Count: 14
Complexity: 349
EINECS: 248-605-0 
Melting Point: 186-187 °C
Index of Refraction: 1.615
Molar Refractivity: 48.48 cm3
Molar Volume: 138.7 cm3
Surface Tension: 58 dyne/cm
Density of 2-Oxo-2,3-dihydrobenzooxazole-6-sulfonyl chloride (CAS NO.27685-90-1): 1.683 g/cm3

Specification

 2-Oxo-2,3-dihydrobenzooxazole-6-sulfonyl chloride (CAS NO.27685-90-1), its Synonyms are 2,3-Dihydro-2-oxobenzoxazole-6-sulphonyl chloride ; 6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo- ; Benzoxazalone, 6-sulfochloride .