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Home Aminos 5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid

5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid

CAS No.:
40828-92-0
Catalog Number:
AG00C5Y4
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00C5Y4
Chemical Name:
5-[(4-Chlorophenyl)amino]-5-oxopentanoic acid
CAS Number:
40828-92-0
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
MDL Number:
MFCD00029854
IUPAC Name:
5-(4-chloroanilino)-5-oxopentanoic acid
InChI:
InChI=1S/C11H12ClNO3/c12-8-4-6-9(7-5-8)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)
InChI Key:
WWDMQLBWGBGYGS-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Cl)CCCC(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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