Methyl 2-(2-Bromo-4-chlorophenyl)acetate - CAS 115871-49-3

Catalog:	BB003638
Product Name:	Methyl 2-(2-Bromo-4-chlorophenyl)acetate
CAS:	115871-49-3
Synonyms:	2-(2-bromo-4-chlorophenyl)acetic acid methyl ester; methyl 2-(2-bromo-4-chlorophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(2-bromo-4-chlorophenyl)acetate
Description:	Methyl 2-(2-Bromo-4-chlorophenyl)acetate (CAS# 115871-49-3) is a useful research chemical.
Molecular Weight:	263.52
Molecular Formula:	C9H8BrClO2
Canonical SMILES:	COC(=O)CC1=C(C=C(C=C1)Cl)Br
InChI:	InChI=1S/C9H8BrClO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3
InChI Key:	LRGRTSYKKXHITJ-UHFFFAOYSA-N
Boiling Point:	281.096 °C at 760 mmHg
Density:	1.567 g/cm³
Appearance:	Liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD06658159
LogP:	2.81800

Publication Number	Title	Priority Date
WO-2021126902-A1	Amido-substituted heterocyclic compounds and methods of use thereof for the treatment of herpes viruses	20191220
WO-2020092621-A1	Substituted 6-azabenzimidazole compounds as hpk1 inhibitors	20181031
TW-202033522-A	Substituted 6-azabenzimidazole compounds	20181031
US-2021115037-A1	Substituted 6-azabenzimidazole compounds	20181031
CN-113227089-A	Substituted 6-azabenzimidazole compounds as HPK1 inhibitors	20181031

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.93962
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.93962
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3