4-Fluoro-2-methoxy-5-nitroaniline - CAS 1075705-01-9

Catalog:	BB002104
Product Name:	4-Fluoro-2-methoxy-5-nitroaniline
CAS:	1075705-01-9
Synonyms:	4-fluoro-2-methoxy-5-nitroaniline; 4-fluoro-2-methoxy-5-nitroaniline

Technical Data

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Computed Properties

IUPAC Name:	4-fluoro-2-methoxy-5-nitroaniline
Description:	4-Fluoro-2-methoxy-5-nitroaniline (CAS# 1075705-01-9) is a reagent used in the preparation of anticancer agent Mereletinib.
Molecular Weight:	186.14
Molecular Formula:	C7H7FN2O3
Canonical SMILES:	COC1=CC(=C(C=C1N)[N+](=O)[O-])F
InChI:	InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3
InChI Key:	FYSIGSQCZXQTIH-UHFFFAOYSA-N
Density:	1.412±0.06 g/cm³ (20 °C .760 mmH g)
MDL:	MFCD23098941
LogP:	2.42910

Publication Number	Title	Priority Date
CN-113501808-A	Novel pyrimidine derivative of sulfinyl anilino and application of novel pyrimidine derivative in preparation of antitumor drugs	20210604
CN-112480083-A	AZD9291 derivative containing alkynyl and preparation method and application thereof	20201106
CN-112341346-A	Synthetic method of oxitinib intermediate	20201030
CN-112159392-A	Substituted pyrimidine compound, pharmaceutical composition thereof and application of compound	20200915
CN-111362924-A	Deuterated pyrimidine derivatives and uses thereof	20200421

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GHS Hazard Statement:	H302 (97.5%): 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:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04407025
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.04407025
Rotatable Bond Count:	1
Topological Polar Surface Area:	81.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1