Methyl 4-Amino-2-fluorobenzoate - CAS 73792-08-2

Catalog:	BB034927
Product Name:	Methyl 4-Amino-2-fluorobenzoate
CAS:	73792-08-2
Synonyms:	4-amino-2-fluorobenzoic acid methyl ester; methyl 4-amino-2-fluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-2-fluorobenzoate
Description:	Methyl 4-Amino-2-fluorobenzoate (CAS# 73792-08-2) is a useful research chemical.
Molecular Weight:	169.15
Molecular Formula:	C8H8FNO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)N)F
InChI:	InChI=1S/C8H8FNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3
InChI Key:	BPAKMNNACPYTAY-UHFFFAOYSA-N
Boiling Point:	302.319 °C at 760 mmHg
Density:	1.264 g/cm³
MDL:	MFCD09037917
LogP:	1.77570

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, 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