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88344-84-7 | Benzenesulfonamide, 2-chloro-3-cyano-4-phenoxy-
CAS No: 88344-84-7 Catalog No: AG0046Q1 MDL No:
Product Description
Catalog Number:
AG0046Q1
Chemical Name:
Benzenesulfonamide, 2-chloro-3-cyano-4-phenoxy-
CAS Number:
88344-84-7
Molecular Formula:
C13H9ClN2O3S
Molecular Weight:
308.7402
IUPAC Name:
2-chloro-3-cyano-4-phenoxybenzenesulfonamide
InChI:
InChI=1S/C13H9ClN2O3S/c14-13-10(8-15)11(6-7-12(13)20(16,17)18)19-9-4-2-1-3-5-9/h1-7H,(H2,16,17,18)
InChI Key:
TYRBXISSQFGWDA-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccc(c1Cl)S(=O)(=O)N)Oc1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.736g/mol
Monoisotopic Mass:
308.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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