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62522-63-8 | 6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI)
CAS No: 62522-63-8 Catalog No: AG00ECY5 MDL No:MFCD03033702
Product Description
Catalog Number:
AG00ECY5
Chemical Name:
6-Benzoxazolesulfonylchloride,2,3-dihydro-3-methyl-2-oxo-(9CI)
CAS Number:
62522-63-8
Molecular Formula:
C8H6ClNO4S
Molecular Weight:
247.6555
MDL Number:
MFCD03033702
IUPAC Name:
3-methyl-2-oxo-1,3-benzoxazole-6-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO4S/c1-10-6-3-2-5(15(9,12)13)4-7(6)14-8(10)11/h2-4H,1H3
InChI Key:
MRSCMVKREGBNOW-UHFFFAOYSA-N
SMILES:
Cn1c(=O)oc2c1ccc(c2)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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