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924865-06-5 | 5-(5-isoxazolyl)-2-methyl-3-furansulfonyl chloride
CAS No: 924865-06-5 Catalog No: AG00GVI3 MDL No:MFCD09028400
Product Description
Catalog Number:
AG00GVI3
Chemical Name:
5-(5-isoxazolyl)-2-methyl-3-furansulfonyl chloride
CAS Number:
924865-06-5
Molecular Formula:
C8H6ClNO4S
Molecular Weight:
247.6555
MDL Number:
MFCD09028400
IUPAC Name:
2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO4S/c1-5-8(15(9,11)12)4-7(13-5)6-2-3-10-14-6/h2-4H,1H3
InChI Key:
UESHFPJLRRFUDQ-UHFFFAOYSA-N
SMILES:
Cc1oc(cc1S(=O)(=O)Cl)c1ccno1
Properties
Complexity:
328
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:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.649g/mol
Monoisotopic Mass:
246.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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