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Home Aminos 4-Ethylamino-3-nitro-benzoic acid ethyl ester

4-Ethylamino-3-nitro-benzoic acid ethyl ester

CAS No.:
91182-00-2
Catalog Number:
AG006Q78
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$400
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG006Q78
Chemical Name:
4-Ethylamino-3-nitro-benzoic acid ethyl ester
CAS Number:
91182-00-2
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD03147222
IUPAC Name:
ethyl 4-(ethylamino)-3-nitrobenzoate
InChI:
InChI=1S/C11H14N2O4/c1-3-12-9-6-5-8(11(14)17-4-2)7-10(9)13(15)16/h5-7,12H,3-4H2,1-2H3
InChI Key:
IMXVAPWRGKQKOG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCC
Properties
Complexity:
277  
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:
5  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
4-Ethyl-amino-3-nitro-benzoic acid. Acta crystallographica. Section E, Structure reports online 20090501
Ethyl 4-ethyl-amino-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090201
Properties