5-(4-CYANO-BENZOYLAMINO)-2-ETHOXY-BENZENESULFONYL CHLORIDE


Chemical Name: 5-(4-CYANO-BENZOYLAMINO)-2-ETHOXY-BENZENESULFONYL CHLORIDE
CAS Number: 680618-02-4
Product Number: AG006G3D(AGN-PC-09RQS0)
Synonyms:
MDL No:
Molecular Formula: C16H13ClN2O4S
Molecular Weight: 364.8034

Identification/Properties


Computed Properties
Molecular Weight:
364.8g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
364.028g/mol
Monoisotopic Mass:
364.028g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
587
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H302-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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