Home Halogens Benzeneacetamide,N-(aminocarbonyl)-a-chloro-

Benzeneacetamide,N-(aminocarbonyl)-a-chloro-

CAS No.:
25395-28-2
Catalog Number:
AG006UZI
Molecular Formula:
C9H9ClN2O2
Molecular Weight:
212.6330
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Product Description
Catalog Number:
AG006UZI
Chemical Name:
Benzeneacetamide,N-(aminocarbonyl)-a-chloro-
CAS Number:
25395-28-2
Molecular Formula:
C9H9ClN2O2
Molecular Weight:
212.6330
MDL Number:
MFCD00053634
IUPAC Name:
N-carbamoyl-2-chloro-2-phenylacetamide
InChI:
InChI=1S/C9H9ClN2O2/c10-7(8(13)12-9(11)14)6-4-2-1-3-5-6/h1-5,7H,(H3,11,12,13,14)
InChI Key:
LEJPVKTZROTWBE-UHFFFAOYSA-N
SMILES:
ClC(c1ccccc1)C(=O)NC(=O)N
NSC Number:
102781
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.633g/mol
Monoisotopic Mass:
212.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. Journal of medicinal chemistry 20081113
Properties