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Home Nitros Ethyl 4-fluoro-3-nitrobenzoate

Ethyl 4-fluoro-3-nitrobenzoate

CAS No.:
367-80-6
Catalog Number:
AG00BZCF
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
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
$188
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00BZCF
Chemical Name:
Ethyl 4-fluoro-3-nitrobenzoate
CAS Number:
367-80-6
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
MDL Number:
MFCD03428515
IUPAC Name:
ethyl 4-fluoro-3-nitrobenzoate
InChI:
InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
InChI Key:
YONVBKVUSUGBQR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])F
EC Number:
609-290-9
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.164g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Ethyl 4-(2-hydroxy-ethyl-amino)-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20100401
Ethyl 4-butyl-amino-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090901
Ethyl 4-fluoro-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090301
Ethyl 3-nitro-4-(propyl-amino)benzoate. Acta crystallographica. Section E, Structure reports online 20080801
Properties