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88344-75-6 | Benzenesulfonamide, 2-chloro-3-nitro-4-phenoxy-N-(phenylmethyl)-
CAS No: 88344-75-6 Catalog No: AG0046Q3 MDL No:
Product Description
Catalog Number:
AG0046Q3
Chemical Name:
Benzenesulfonamide, 2-chloro-3-nitro-4-phenoxy-N-(phenylmethyl)-
CAS Number:
88344-75-6
Molecular Formula:
C19H15ClN2O5S
Molecular Weight:
418.8508
IUPAC Name:
N-benzyl-2-chloro-3-nitro-4-phenoxybenzenesulfonamide
InChI:
InChI=1S/C19H15ClN2O5S/c20-18-17(28(25,26)21-13-14-7-3-1-4-8-14)12-11-16(19(18)22(23)24)27-15-9-5-2-6-10-15/h1-12,21H,13H2
InChI Key:
QJHQYNJSXVZMNT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1Cl)S(=O)(=O)NCc1ccccc1)Oc1ccccc1
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.039g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.848g/mol
Monoisotopic Mass:
418.039g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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