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1282218-14-7 | 5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonyl chloride
CAS No: 1282218-14-7 Catalog No: AG00J2IK MDL No:MFCD15729904
Product Description
Catalog Number:
AG00J2IK
Chemical Name:
5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonyl chloride
CAS Number:
1282218-14-7
Molecular Formula:
C8H6ClNO3S2
Molecular Weight:
263.7211
MDL Number:
MFCD15729904
IUPAC Name:
5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO3S2/c1-5-4-6(13-10-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChI Key:
KYTGBJPEUYAGNH-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)c1ccc(s1)S(=O)(=O)Cl
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:
2.5
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