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1279219-52-1 | 5-(3,4-dimethyl-5-isoxazolyl)-2-thiophenesulfonyl chloride
CAS No: 1279219-52-1 Catalog No: AG00J2H7 MDL No:MFCD15729905
Product Description
Catalog Number:
AG00J2H7
Chemical Name:
5-(3,4-dimethyl-5-isoxazolyl)-2-thiophenesulfonyl chloride
CAS Number:
1279219-52-1
Molecular Formula:
C9H8ClNO3S2
Molecular Weight:
277.7477
MDL Number:
MFCD15729905
IUPAC Name:
5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C9H8ClNO3S2/c1-5-6(2)11-14-9(5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3
InChI Key:
ZKYVRFMQSGQKMT-UHFFFAOYSA-N
SMILES:
Cc1noc(c1C)c1ccc(s1)S(=O)(=O)Cl
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.963g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.737g/mol
Monoisotopic Mass:
276.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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