Home Aminos 2-(diethylamino)-5-nitrobenzoic acid

2-(diethylamino)-5-nitrobenzoic acid

CAS No.:
727718-14-1
Catalog Number:
AG019ILQ
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
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Product Description
Catalog Number:
AG019ILQ
Chemical Name:
2-(diethylamino)-5-nitrobenzoic acid
CAS Number:
727718-14-1
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD04619545
IUPAC Name:
2-(diethylamino)-5-nitrobenzoic acid
InChI:
InChI=1S/C11H14N2O4/c1-3-12(4-2)10-6-5-8(13(16)17)7-9(10)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChI Key:
GFWRJXGWOSGFEZ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1C(=O)O)[N+](=O)[O-])CC
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
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