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680617-92-9

680617-92-9 | 5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride

CAS No: 680617-92-9 Catalog No: AG006G3F MDL No:MFCD03424957

Product Description

Catalog Number:
AG006G3F
Chemical Name:
5-(4-Bromobenzamido)-2-ethoxybenzene-1-sulfonyl chloride
CAS Number:
680617-92-9
Molecular Formula:
C15H13BrClNO4S
Molecular Weight:
418.6900
MDL Number:
MFCD03424957
IUPAC Name:
5-[(4-bromobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride
InChI:
InChI=1S/C15H13BrClNO4S/c1-2-22-13-8-7-12(9-14(13)23(17,20)21)18-15(19)10-3-5-11(16)6-4-10/h3-9H,2H2,1H3,(H,18,19)
InChI Key:
SHXARFFCJUDZIJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1S(=O)(=O)Cl)NC(=O)c1ccc(cc1)Br

Properties

Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.944g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.686g/mol
Monoisotopic Mass:
416.944g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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