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Home Other Building Blocks N-BENZO[1,3]DIOXOL-5-YL-2-CHLORO-ACETAMIDE

N-BENZO[1,3]DIOXOL-5-YL-2-CHLORO-ACETAMIDE

CAS No.:
227199-07-7
Catalog Number:
AG00BCQA
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
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Product Description
Catalog Number:
AG00BCQA
Chemical Name:
N-BENZO[1,3]DIOXOL-5-YL-2-CHLORO-ACETAMIDE
CAS Number:
227199-07-7
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
MDL Number:
MFCD24511888
IUPAC Name:
N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
InChI:
InChI=1S/C9H8ClNO3/c10-4-9(12)11-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
InChI Key:
HBIYZYYNHWRQMC-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1ccc2c(c1)OCO2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.617g/mol
Monoisotopic Mass:
213.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis. Journal of medicinal chemistry 20120726
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties