Methyl 2-Fluoro-4-nitrophenylacetate - CAS 337529-74-5

Catalog:	BB021830
Product Name:	Methyl 2-Fluoro-4-nitrophenylacetate
CAS:	337529-74-5
Synonyms:	2-(2-fluoro-4-nitrophenyl)acetic acid methyl ester; methyl 2-(2-fluoro-4-nitrophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(2-fluoro-4-nitrophenyl)acetate
Description:	Methyl 2-Fluoro-4-nitrophenylacetate (CAS# 337529-74-5) is a useful research chemical.
Molecular Weight:	213.16
Molecular Formula:	C9H8FNO4
Canonical SMILES:	COC(=O)CC1=C(C=C(C=C1)[N+](=O)[O-])F
InChI:	InChI=1S/C9H8FNO4/c1-15-9(12)4-6-2-3-7(11(13)14)5-8(6)10/h2-3,5H,4H2,1H3
InChI Key:	ZFELCQQSVRXXGP-UHFFFAOYSA-N
Boiling Point:	309 °C at 760 mmHg
Density:	1.346 g/cm³
LogP:	1.97260

Publication Number	Title	Priority Date
WO-2019213470-A1	Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (rorÏ') and pharmaceutical uses thereof	20180503
AU-2019262169-A1	Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORy) and pharmaceutical uses thereof	20180503
CN-112135611-A	Benzimidazole derivatives as modulators of retinoic acid-related orphan receptor gamma (ROR Î³) and pharmaceutical uses thereof	20180503
EP-3781161-A1	Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (rory) and pharmaceutical uses thereof	20180503
KR-20210005880-A	Benzimidazole derivatives and pharmaceutical uses thereof as modulators of retinoid-related rare receptor gamma (RORÎ³)	20180503

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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:	1.6