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88787-45-5 | 6-Benzoxazolesulfonyl chloride, 5-chloro-2-methyl-
CAS No: 88787-45-5 Catalog No: AG004CYQ MDL No:
Product Description
Catalog Number:
AG004CYQ
Chemical Name:
6-Benzoxazolesulfonyl chloride, 5-chloro-2-methyl-
CAS Number:
88787-45-5
Molecular Formula:
C8H5Cl2NO3S
Molecular Weight:
266.1012
IUPAC Name:
5-chloro-2-methyl-1,3-benzoxazole-6-sulfonyl chloride
InChI:
InChI=1S/C8H5Cl2NO3S/c1-4-11-6-2-5(9)8(15(10,12)13)3-7(6)14-4/h2-3H,1H3
InChI Key:
UCQUFKGPDLJOCM-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)cc(c(c2)Cl)S(=O)(=O)Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.937g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.092g/mol
Monoisotopic Mass:
264.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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