Methyl 4-Fluoro-2-nitrobenzoate - CAS 151504-81-3

Catalog:	BB010672
Product Name:	Methyl 4-Fluoro-2-nitrobenzoate
CAS:	151504-81-3
Synonyms:	4-fluoro-2-nitrobenzoic acid methyl ester; methyl 4-fluoro-2-nitrobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-fluoro-2-nitrobenzoate
Description:	Methyl 4-Fluoro-2-nitrobenzoate (CAS# 151504-81-3) is a useful research chemical.
Molecular Weight:	199.14
Molecular Formula:	C8H6FNO4
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C8H6FNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChI Key:	YBAZOLISUXINHV-UHFFFAOYSA-N
Boiling Point:	272.1 °C at 760 mmHg
Density:	1.388 g/cm³
LogP:	2.04370

Publication Number	Title	Priority Date
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
CN-112409332-A	Triazole derivative and application thereof in medicines	20190823
WO-2021011722-A1	Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto	20190717
WO-2020084491-A1	Inhibitors of human immunodeficiency virus replication	20181024

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.02808583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.02808583
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8