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680618-02-4 | 5-(4-Cyanobenzamido)-2-ethoxybenzene-1-sulfonyl chloride
CAS No: 680618-02-4 Catalog No: AG006G3D MDL No:MFCD03424962
Product Description
Catalog Number:
AG006G3D
Chemical Name:
5-(4-Cyanobenzamido)-2-ethoxybenzene-1-sulfonyl chloride
CAS Number:
680618-02-4
Molecular Formula:
C16H13ClN2O4S
Molecular Weight:
364.8034
MDL Number:
MFCD03424962
IUPAC Name:
5-[(4-cyanobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride
InChI:
InChI=1S/C16H13ClN2O4S/c1-2-23-14-8-7-13(9-15(14)24(17,21)22)19-16(20)12-5-3-11(10-18)4-6-12/h3-9H,2H2,1H3,(H,19,20)
InChI Key:
HTEWIFIYUSISGY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1S(=O)(=O)Cl)NC(=O)c1ccc(cc1)C#N
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.8g/mol
Monoisotopic Mass:
364.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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