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142246-48-8 | 2,1,3-Benzoxadiazole-4-sulfonyl chloride, 7-chloro-
CAS No: 142246-48-8 Catalog No: AG001I1S MDL No:MFCD00191405
Product Description
Catalog Number:
AG001I1S
Chemical Name:
2,1,3-Benzoxadiazole-4-sulfonyl chloride, 7-chloro-
CAS Number:
142246-48-8
Molecular Formula:
C6H2Cl2N2O3S
Molecular Weight:
253.0627
MDL Number:
MFCD00191405
IUPAC Name:
4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride
InChI:
InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H
InChI Key:
BPPRLMZEVZSIIJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1non2)S(=O)(=O)Cl
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.916g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.053g/mol
Monoisotopic Mass:
251.916g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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