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680617-90-7

680617-90-7 | 5-(3,4-Dichlorobenzamido)-2-ethoxybenzene-1-sulfonyl chloride

CAS No: 680617-90-7 Catalog No: AG006G3G MDL No:MFCD03424956

Product Description

Catalog Number:
AG006G3G
Chemical Name:
5-(3,4-Dichlorobenzamido)-2-ethoxybenzene-1-sulfonyl chloride
CAS Number:
680617-90-7
Molecular Formula:
C15H12Cl3NO4S
Molecular Weight:
408.6841
MDL Number:
MFCD03424956
IUPAC Name:
5-[(3,4-dichlorobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride
InChI:
InChI=1S/C15H12Cl3NO4S/c1-2-23-13-6-4-10(8-14(13)24(18,21)22)19-15(20)9-3-5-11(16)12(17)7-9/h3-8H,2H2,1H3,(H,19,20)
InChI Key:
OQGOSILMITWSMZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1S(=O)(=O)Cl)NC(=O)c1ccc(c(c1)Cl)Cl

Properties

Complexity:
539  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.955g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
408.674g/mol
Monoisotopic Mass:
406.955g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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