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88344-67-6 | Benzenesulfonyl chloride, 2-chloro-3-nitro-4-phenoxy-
CAS No: 88344-67-6 Catalog No: AG0046Q5 MDL No:
Product Description
Catalog Number:
AG0046Q5
Chemical Name:
Benzenesulfonyl chloride, 2-chloro-3-nitro-4-phenoxy-
CAS Number:
88344-67-6
Molecular Formula:
C12H7Cl2NO5S
Molecular Weight:
348.1587
IUPAC Name:
2-chloro-3-nitro-4-phenoxybenzenesulfonyl chloride
InChI:
InChI=1S/C12H7Cl2NO5S/c13-11-10(21(14,18)19)7-6-9(12(11)15(16)17)20-8-4-2-1-3-5-8/h1-7H
InChI Key:
XSKWTEATMXSJBF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1Cl)S(=O)(=O)Cl)Oc1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.942g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.15g/mol
Monoisotopic Mass:
346.942g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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