3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride - CAS 78633-42-8
Catalog: |
BB036214 |
Product Name: |
3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride |
CAS: |
78633-42-8 |
Synonyms: |
3-methyl-2-oxo-1,3-benzoxazole-5-sulfonyl chloride |
IUPAC Name: | 3-methyl-2-oxo-1,3-benzoxazole-5-sulfonyl chloride |
Description: | 3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonyl chloride (CAS# 78633-42-8) is a useful research chemical. |
Molecular Weight: | 247.66 |
Molecular Formula: | C8H6ClNO4S |
Canonical SMILES: | CN1C2=C(C=CC(=C2)S(=O)(=O)Cl)OC1=O |
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 |
MDL: | MFCD17226538 |
LogP: | 2.13980 |
Complexity: | 377 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.9706065 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.9706065 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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