Methyl 5-Bromo-2-fluorobenzoate - CAS 57381-59-6

Catalog:	BB029684
Product Name:	Methyl 5-Bromo-2-fluorobenzoate
CAS:	57381-59-6
Synonyms:	5-bromo-2-fluorobenzoic acid methyl ester; methyl 5-bromo-2-fluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-2-fluorobenzoate
Description:	Methyl 5-Bromo-2-fluorobenzoate (CAS# 57381-59-6) is a useful research chemical.
Molecular Weight:	233.03
Molecular Formula:	C8H6BrFO2
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)Br)F
InChI:	InChI=1S/C8H6BrFO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key:	DXOPSTSVRPCTOS-UHFFFAOYSA-N
LogP:	2.37480

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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5