Methyl 5-Amino-2-fluorobenzoate - CAS 56741-34-5

Catalog:	BB029478
Product Name:	Methyl 5-Amino-2-fluorobenzoate
CAS:	56741-34-5
Synonyms:	5-amino-2-fluorobenzoic acid methyl ester; methyl 5-amino-2-fluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-amino-2-fluorobenzoate
Description:	Methyl 5-Amino-2-fluorobenzoate (CAS# 56741-34-5) is a useful research chemical.
Molecular Weight:	169.15
Molecular Formula:	C8H8FNO2
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)N)F
InChI:	InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
InChI Key:	ILVPFTMKCHREDJ-UHFFFAOYSA-N
Boiling Point:	302.319 °C at 760 mmHg
Density:	1.264 g/cm³
LogP:	1.77570

Publication Number	Title	Priority Date
KR-20210024983-A	Indole Carboxamide Derivative and Pharmaceutical Composition Comprising the Same	20190826
WO-2021040393-A1	Indole carboxamide derivative and pharmaceutical composition containing same	20190826
WO-2021018173-A1	Adenosine receptor antagonist	20190730
TW-201940462-A	Compound	20180126
WO-2019145726-A1	Compounds	20180126

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GHS Hazard Statement:	H302 (100%): 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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.05390666
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.05390666
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2