Methyl 2-Amino-4-fluorobenzoate - CAS 2475-81-2

Name: Methyl 2-Amino-4-fluorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018611
Product Name:	Methyl 2-Amino-4-fluorobenzoate
CAS:	2475-81-2
Synonyms:	2-amino-4-fluorobenzoic acid methyl ester; methyl 2-amino-4-fluorobenzoate

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Computed Properties

IUPAC Name:	methyl 2-amino-4-fluorobenzoate
Description:	Methyl 2-Amino-4-fluorobenzoate (CAS# 2475-81-2) is a useful research chemical.
Molecular Weight:	169.15
Molecular Formula:	C8H8FNO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)F)N
InChI:	InChI=1S/C8H8FNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChI Key:	UBFRSTYHLYPSND-UHFFFAOYSA-N
Boiling Point:	255.5 °C at 760 mmHg
Density:	1.264 g/cm³
MDL:	MFCD11054082
LogP:	1.77570

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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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

Publication Number	Title	Priority Date
US-2019382365-A1	Inhibitors of oplophorus luciferase-derived bioluminescent complexes	20180601
WO-2019232384-A1	Inhibitors of oplophorus luciferase-derived bioluminescent complexes	20180601
EP-3802514-A1	Inhibitors of oplophorus luciferase-derived bioluminescent complexes	20180601
JP-2021526530-A	Inhibitor of bioluminescent complex derived from OPLOPHORUS luciferase	20180601
TW-202003457-A	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522

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