Methyl 2-Bromo-5-fluorobenzoate - CAS 6942-39-8

Catalog:	BB033819
Product Name:	Methyl 2-Bromo-5-fluorobenzoate
CAS:	6942-39-8
Synonyms:	2-bromo-5-fluorobenzoic acid methyl ester; methyl 2-bromo-5-fluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-bromo-5-fluorobenzoate
Description:	Methyl 2-Bromo-5-fluorobenzoate (CAS# 6942-39-8) is a useful research chemical.
Molecular Weight:	233.03
Molecular Formula:	C8H6BrFO2
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)F)Br
InChI:	InChI=1S/C8H6BrFO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
InChI Key:	FCMQMRAFVRTHCR-UHFFFAOYSA-N
Boiling Point:	247.5 °C at 760 mmHg
Density:	1.577 g/cm³
LogP:	2.37480

Publication Number	Title	Priority Date
CN-111925320-A	Method for efficiently synthesizing polysubstituted 2-pyridone compound	20200812
CN-112010872-A	Electron acceptor material with photo-thermal stability and organic solar cell constructed by electron acceptor material	20200811
WO-2021143924-A1	Boric acid derivative	20200119
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115

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Related Functional Groups

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[87-88-7]
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[1427004-19-0]
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[1018141-88-2]
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[55441-25-3]
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[1006443-01-1]
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[91552-11-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	231.95352
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.95352
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6