Methyl 2-Bromo-2-(4-chlorophenyl)acetate - CAS 24091-92-7

Catalog:	BB018328
Product Name:	Methyl 2-Bromo-2-(4-chlorophenyl)acetate
CAS:	24091-92-7
Synonyms:	2-bromo-2-(4-chlorophenyl)acetic acid methyl ester; methyl 2-bromo-2-(4-chlorophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-bromo-2-(4-chlorophenyl)acetate
Description:	Methyl 2-Bromo-2-(4-chlorophenyl)acetate (CAS# 24091-92-7) is a useful research chemical.
Molecular Weight:	263.52
Molecular Formula:	C9H8BrClO2
Canonical SMILES:	COC(=O)C(C1=CC=C(C=C1)Cl)Br
InChI:	InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8H,1H3
InChI Key:	LWQLLIVTGSMSCT-UHFFFAOYSA-N
Boiling Point:	293.2 °C at 760 mmHg
Density:	1.546 g/cm³
LogP:	2.81800

Publication Number	Title	Priority Date
WO-2021123798-A1	1h-pyrazolo[3,4-d]pyrimidine compounds useful for the treatment of platinum-resistant cancer	20191219
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CN-110753682-A	Substituted indoline derivatives as inhibitors of dengue virus replication	20170522
EP-3630724-A1	Substituted indoline derivatives as dengue viral replication inhibitors	20170522

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Complexity:	179
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2