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1285177-04-9 | 5-(3,4-dimethyl-5-isoxazolyl)-2-furansulfonyl chloride
CAS No: 1285177-04-9 Catalog No: AG00J2IZ MDL No:MFCD15729911
Product Description
Catalog Number:
AG00J2IZ
Chemical Name:
5-(3,4-dimethyl-5-isoxazolyl)-2-furansulfonyl chloride
CAS Number:
1285177-04-9
Molecular Formula:
C9H8ClNO4S
Molecular Weight:
261.6821
MDL Number:
MFCD15729911
IUPAC Name:
5-(3,4-dimethyl-1,2-oxazol-5-yl)furan-2-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO4S/c1-5-6(2)11-15-9(5)7-3-4-8(14-7)16(10,12)13/h3-4H,1-2H3
InChI Key:
ZDQKUWGNGCITNF-UHFFFAOYSA-N
SMILES:
Cc1noc(c1C)c1ccc(o1)S(=O)(=O)Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.676g/mol
Monoisotopic Mass:
260.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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