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88345-13-5 | Benzenesulfonamide, N-(butoxymethyl)-2-chloro-3-nitro-4-phenoxy-
CAS No: 88345-13-5 Catalog No: AG0046OO MDL No:
Product Description
Catalog Number:
AG0046OO
Chemical Name:
Benzenesulfonamide, N-(butoxymethyl)-2-chloro-3-nitro-4-phenoxy-
CAS Number:
88345-13-5
Molecular Formula:
C17H19ClN2O6S
Molecular Weight:
414.8606
IUPAC Name:
N-(butoxymethyl)-2-chloro-3-nitro-4-phenoxybenzenesulfonamide
InChI:
InChI=1S/C17H19ClN2O6S/c1-2-3-11-25-12-19-27(23,24)15-10-9-14(17(16(15)18)20(21)22)26-13-7-5-4-6-8-13/h4-10,19H,2-3,11-12H2,1H3
InChI Key:
JZRTZHQPHPRIRB-UHFFFAOYSA-N
SMILES:
CCCCOCNS(=O)(=O)c1ccc(c(c1Cl)[N+](=O)[O-])Oc1ccccc1
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.065g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.857g/mol
Monoisotopic Mass:
414.065g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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