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Home Aminos Ethyl 4-(isopropylamino)-3-nitrobenzoate

Ethyl 4-(isopropylamino)-3-nitrobenzoate

CAS No.:
1187570-88-2
Catalog Number:
AG0094BO
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$138
- +
5g
97%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG0094BO
Chemical Name:
Ethyl 4-(isopropylamino)-3-nitrobenzoate
CAS Number:
1187570-88-2
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD25953935
IUPAC Name:
ethyl 3-nitro-4-(propan-2-ylamino)benzoate
InChI:
InChI=1S/C12H16N2O4/c1-4-18-12(15)9-5-6-10(13-8(2)3)11(7-9)14(16)17/h5-8,13H,4H2,1-3H3
InChI Key:
CVFXPNIJPTXGHR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties