Methyl 2-Amino-3-fluorobenzoate - CAS 144851-82-1

Catalog:	BB009843
Product Name:	Methyl 2-Amino-3-fluorobenzoate
CAS:	144851-82-1
Synonyms:	2-amino-3-fluorobenzoic acid methyl ester; methyl 2-amino-3-fluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-3-fluorobenzoate
Description:	Methyl 2-Amino-3-fluorobenzoate (CAS# 144851-82-1) 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)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3
InChI Key:	ISLOQGNBENYQQF-UHFFFAOYSA-N
Boiling Point:	246.8 °C at 760 mmHg
Density:	1.264 g/cm³
MDL:	MFCD11870179
LogP:	1.77570

Publication Number	Title	Priority Date
WO-2021119753-A1	Compounds	20191218
WO-2021126999-A1	Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor	20191217
WO-2020255039-A1	Combination of hepatitis b virus (hbv) vaccines and quinazoline derivatives	20190618
CN-111848601-A	Compound containing condensed ring, application thereof and pharmaceutical composition containing compound	20190430
WO-2020221074-A1	Compound containing fused ring, use thereof and pharmaceutical composition containing same	20190430

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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