sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens Ethyl 4-chloro-3-nitrobenzoate

Ethyl 4-chloro-3-nitrobenzoate

CAS No.:
16588-16-2
Catalog Number:
AG001WDV
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG001WDV
Chemical Name:
Ethyl 4-chloro-3-nitrobenzoate
CAS Number:
16588-16-2
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD00219621
IUPAC Name:
ethyl 4-chloro-3-nitrobenzoate
InChI:
InChI=1S/C9H8ClNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChI Key:
BLNLZRQIUGDTAO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Ethyl 3-nitro-4-(n-propyl-amino)benzoate. Acta crystallographica. Section E, Structure reports online 20090601
Ethyl 4-ethyl-amino-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090201
Ethyl 4-anilino-3-nitrobenzoate. Acta crystallographica. Section E, Structure reports online 20090101
Ethyl 4-chloro-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20080201
Properties