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1282484-31-4 | 5-(5-isoxazolyl)-2-methyl-3-thiophenesulfonyl chloride
CAS No: 1282484-31-4 Catalog No: AG00J2HH MDL No:MFCD15729935
Product Description
Catalog Number:
AG00J2HH
Chemical Name:
5-(5-isoxazolyl)-2-methyl-3-thiophenesulfonyl chloride
CAS Number:
1282484-31-4
Molecular Formula:
C8H6ClNO3S2
Molecular Weight:
263.7211
MDL Number:
MFCD15729935
IUPAC Name:
2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO3S2/c1-5-8(15(9,11)12)4-7(14-5)6-2-3-10-13-6/h2-4H,1H3
InChI Key:
BNKQSMWYZHDASO-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1S(=O)(=O)Cl)c1ccno1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.71g/mol
Monoisotopic Mass:
262.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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