Methyl 3-[(2-bromophenoxy)methyl]benzoate - CAS 438465-02-2

Catalog:	BB044783
Product Name:	Methyl 3-[(2-bromophenoxy)methyl]benzoate
CAS:	438465-02-2
Synonyms:	3-(2-Bromo-phenoxymethyl)-benzoic acid methyl ester; Benzoic acid, 3-(2-bromophenoxymethyl)-, methyl ester

Technical Data

Computed Properties

IUPAC Name:	methyl 3-[(2-bromophenoxy)methyl]benzoate
Description:	Methyl 3-[(2-bromophenoxy)methyl]benzoate (CAS# 438465-02-2 ) is a useful research chemical.
Molecular Weight:	321.17
Molecular Formula:	C15H13BrO3
Canonical SMILES:	COC(=O)C1=CC=CC(=C1)COC2=CC=CC=C2Br
InChI:	InChI=1S/C15H13BrO3/c1-18-15(17)12-6-4-5-11(9-12)10-19-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3
InChI Key:	KOQYVQHGLIZAKF-UHFFFAOYSA-N
Boiling Point:	412.9±30.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.407±0.06 g/cm³ (Predicted)

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	320.00481
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	320.00481
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9