Home Nitros tert-Butyl 4-fluoro-3-nitrobenzoate

tert-Butyl 4-fluoro-3-nitrobenzoate

CAS No.:
579514-75-3
Catalog Number:
AG0039XO
Molecular Formula:
C11H12FNO4
Molecular Weight:
241.2157
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Product Description
Catalog Number:
AG0039XO
Chemical Name:
tert-Butyl 4-fluoro-3-nitrobenzoate
CAS Number:
579514-75-3
Molecular Formula:
C11H12FNO4
Molecular Weight:
241.2157
MDL Number:
MFCD16620871
IUPAC Name:
tert-butyl 4-fluoro-3-nitrobenzoate
InChI:
InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)7-4-5-8(12)9(6-7)13(15)16/h4-6H,1-3H3
InChI Key:
QWDYAIDDFCNTKJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])F)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