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78633-42-8 | 3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride
CAS No: 78633-42-8 Catalog No: AG00G4HO MDL No:MFCD17226538
Product Description
Catalog Number:
AG00G4HO
Chemical Name:
3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride
CAS Number:
78633-42-8
Molecular Formula:
C8H6ClNO4S
Molecular Weight:
247.6555
MDL Number:
MFCD17226538
IUPAC Name:
3-methyl-2-oxo-1,3-benzoxazole-5-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO4S/c1-10-6-4-5(15(9,12)13)2-3-7(6)14-8(10)11/h2-4H,1H3
InChI Key:
VOVZUAYMQLWUCT-UHFFFAOYSA-N
SMILES:
Cn1c(=O)oc2c1cc(cc2)S(=O)(=O)Cl
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.649g/mol
Monoisotopic Mass:
246.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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