Methyl 3-(2-Bromoacetyl)benzoate - CAS 27475-19-0

Catalog:	BB019582
Product Name:	Methyl 3-(2-Bromoacetyl)benzoate
CAS:	27475-19-0
Synonyms:	3-(2-bromo-1-oxoethyl)benzoic acid methyl ester; methyl 3-(2-bromoacetyl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-(2-bromoacetyl)benzoate
Description:	Methyl 3-(2-Bromoacetyl)benzoate (CAS# 27475-19-0) is a useful research chemical.
Molecular Weight:	257.08
Molecular Formula:	C10H9BrO3
Canonical SMILES:	COC(=O)C1=CC=CC(=C1)C(=O)CBr
InChI:	InChI=1S/C10H9BrO3/c1-14-10(13)8-4-2-3-7(5-8)9(12)6-11/h2-5H,6H2,1H3
InChI Key:	QOUUCORIWWWPLU-UHFFFAOYSA-N
LogP:	2.05080

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
EP-3628672-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2020064175-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
EP-3322702-A1	Cyanopyrrolidines as dub inhibitors for the treatment of cancer	20150714

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.97351
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.97351
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7