Home Nitros 4-Fluoro-2-nitro-benzoic acid tert-butyl ester

4-Fluoro-2-nitro-benzoic acid tert-butyl ester

CAS No.:
942271-60-5
Catalog Number:
AG00IHZN
Molecular Formula:
C11H12FNO4
Molecular Weight:
241.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$116
- +
250mg
95%
In Stock USA
United States
$207
- +
1g
95%
In Stock USA
United States
$414
- +
5g
95%
In Stock USA
United States
$1240
- +
Product Description
Catalog Number:
AG00IHZN
Chemical Name:
4-Fluoro-2-nitro-benzoic acid tert-butyl ester
CAS Number:
942271-60-5
Molecular Formula:
C11H12FNO4
Molecular Weight:
241.2157
MDL Number:
MFCD26384452
IUPAC Name:
tert-butyl 4-fluoro-2-nitrobenzoate
InChI:
InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)8-5-4-7(12)6-9(8)13(15)16/h4-6H,1-3H3
InChI Key:
JLGPJOUWLXCECT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.218g/mol
Monoisotopic Mass:
241.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties