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1256643-55-6 | 2,1,3-Benzoxadiazole-4-sulfonyl chloride, 5,7-dimethyl-
CAS No: 1256643-55-6 Catalog No: AG000OAV MDL No:MFCD18381909
Product Description
Catalog Number:
AG000OAV
Chemical Name:
2,1,3-Benzoxadiazole-4-sulfonyl chloride, 5,7-dimethyl-
CAS Number:
1256643-55-6
Molecular Formula:
C8H7ClN2O3S
Molecular Weight:
246.6708
MDL Number:
MFCD18381909
IUPAC Name:
5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H7ClN2O3S/c1-4-3-5(2)8(15(9,12)13)7-6(4)10-14-11-7/h3H,1-2H3
InChI Key:
KFIKFRDBDZKOMA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1S(=O)(=O)Cl)non2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.665g/mol
Monoisotopic Mass:
245.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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