Home Nitros 2-Fluoro-4-nitrobenzoic acid t-butyl ester

2-Fluoro-4-nitrobenzoic acid t-butyl ester

CAS No.:
157665-46-8
Catalog Number:
AG001PLP
Molecular Formula:
C11H12FNO4
Molecular Weight:
241.2157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (HPLC)
1 week
United States
$129
- +
250mg
95%
1 week
United States
$163
- +
1g
95%
1 week
United States
$350
- +
Product Description
Catalog Number:
AG001PLP
Chemical Name:
2-Fluoro-4-nitrobenzoic acid t-butyl ester
CAS Number:
157665-46-8
Molecular Formula:
C11H12FNO4
Molecular Weight:
241.2157
MDL Number:
MFCD03095343
IUPAC Name:
tert-butyl 2-fluoro-4-nitrobenzoate
InChI:
InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)8-5-4-7(13(15)16)6-9(8)12/h4-6H,1-3H3
InChI Key:
ISOZHNCXGVENLC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1F)[N+](=O)[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:
2.7  
Properties