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157665-46-8 | Benzoic acid, 2-fluoro-4-nitro-, 1,1-dimethylethyl ester
CAS No: 157665-46-8 Catalog No: AG001PLP MDL No:MFCD03095343
Product Description
Catalog Number:
AG001PLP
Chemical Name:
Benzoic acid, 2-fluoro-4-nitro-, 1,1-dimethylethyl 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
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