Methyl 2-(Bromomethyl)-4-fluorobenzoate - CAS 157652-28-3

Catalog:	BB011339
Product Name:	Methyl 2-(Bromomethyl)-4-fluorobenzoate
CAS:	157652-28-3
Synonyms:	2-(bromomethyl)-4-fluorobenzoic acid methyl ester; methyl 2-(bromomethyl)-4-fluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(bromomethyl)-4-fluorobenzoate
Description:	Methyl 2-(Bromomethyl)-4-fluorobenzoate (CAS# 157652-28-3) is a useful research chemical.
Molecular Weight:	247.06
Molecular Formula:	C9H8BrFO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)F)CBr
InChI:	InChI=1S/C9H8BrFO2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,5H2,1H3
InChI Key:	DAYFMDZWYCRYEJ-UHFFFAOYSA-N
Boiling Point:	291.6 °C at 760 mmHg
Density:	1.534 g/cm³
LogP:	2.50720

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.96917
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.96917
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4