Methyl 2-Amino-5-fluorobenzoate - CAS 319-24-4

Catalog:	BB021100
Product Name:	Methyl 2-Amino-5-fluorobenzoate
CAS:	319-24-4
Synonyms:	2-amino-5-fluorobenzoic acid methyl ester; methyl 2-amino-5-fluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-5-fluorobenzoate
Description:	Methyl 2-Amino-5-fluorobenzoate (CAS# 319-24-4) is a useful research chemical.
Molecular Weight:	169.15
Molecular Formula:	C8H8FNO2
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)F)N
InChI:	InChI=1S/C8H8FNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChI Key:	PUDDYSBKCDKATP-UHFFFAOYSA-N
Boiling Point:	100-102 °C / 0.5 mmHg
Density:	1.65 g/cm³
MDL:	MFCD03791308
LogP:	1.77570

Publication Number	Title	Priority Date
CN-113501766-A	Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl	20210707
CN-112939802-A	Ferulic acid amide derivative, and synthesis method and application thereof	20210204
WO-2021043114-A1	Substituted thiadiazinone dioxide and preparation method therefor, herbicidal composition, and application therefor	20190902
WO-2020255039-A1	Combination of hepatitis b virus (hbv) vaccines and quinazoline derivatives	20190618
WO-2020138015-A1	Pyrazolo[1,5-a]pyrimidine macrocyclic compound	20181227

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GHS Hazard Statement:	H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, 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:	2.8