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1281662-04-1 | 5-(5-isoxazolyl)-2-methoxybenzenesulfonyl chloride
CAS No: 1281662-04-1 Catalog No: AG00J2H3 MDL No:MFCD15729897
Product Description
Catalog Number:
AG00J2H3
Chemical Name:
5-(5-isoxazolyl)-2-methoxybenzenesulfonyl chloride
CAS Number:
1281662-04-1
Molecular Formula:
C10H8ClNO4S
Molecular Weight:
273.6928
MDL Number:
MFCD15729897
IUPAC Name:
2-methoxy-5-(1,2-oxazol-5-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C10H8ClNO4S/c1-15-9-3-2-7(8-4-5-12-16-8)6-10(9)17(11,13)14/h2-6H,1H3
InChI Key:
PPVDVJWXLYNXHH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)Cl)c1ccno1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.687g/mol
Monoisotopic Mass:
272.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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