Ethyl 4-Fluoro-2-nitrobenzoate - CAS 1072207-10-3

Catalog:	BB002003
Product Name:	Ethyl 4-Fluoro-2-nitrobenzoate
CAS:	1072207-10-3
Synonyms:	4-fluoro-2-nitrobenzoic acid ethyl ester; ethyl 4-fluoro-2-nitrobenzoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-fluoro-2-nitrobenzoate
Description:	Ethyl 4-Fluoro-2-nitrobenzoate (CAS# 1072207-10-3) is a useful research chemical.
Molecular Weight:	213.16
Molecular Formula:	C9H8FNO4
Canonical SMILES:	CCOC(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C9H8FNO4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2H2,1H3
InChI Key:	MTDIULWIFTZWEF-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	2.43380

Publication Number	Title	Priority Date
WO-2021197467-A1	Multi-target anti-tumor compound, preparation method therefor and use thereof	20200402
WO-2021037219-A1	Pyrazole derivative for fgfr inhibitor and preparation method therefor	20190831
CN-112441980-A	Pyrazole derivatives for FGFR inhibitor and preparation method thereof	20190831
AU-2008239018-A1	5-membered heterocyclic derivative and use thereof for medical purposes	20070411
AU-2008239018-B2	5-membered heterocyclic derivative and use thereof for medical purposes	20070411

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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.0437359
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.0437359
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2