tert-Butyl 4-Fluoro-2-nitrobenzoate - CAS 942271-60-5

Catalog:	BB041239
Product Name:	tert-Butyl 4-Fluoro-2-nitrobenzoate
CAS:	942271-60-5
Synonyms:	4-fluoro-2-nitrobenzoic acid tert-butyl ester; tert-butyl 4-fluoro-2-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-fluoro-2-nitrobenzoate
Description:	tert-Butyl 4-Fluoro-2-nitrobenzoate (CAS# 942271-60-5) is a useful research chemical.
Molecular Weight:	241.22
Molecular Formula:	C11H12FNO4
Canonical SMILES:	CC(C)(C)OC(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-]
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
MDL:	MFCD26384452
LogP:	3.21240

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EP-3841098-A1	Tropomyosin receptor kinase (trk) degradation compounds and methods of use	20180822

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Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.07503603
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.07503603
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9