Methyl 2-Bromo-4,5-difluorobenzoate - CAS 878207-28-4

Catalog:	BB038649
Product Name:	Methyl 2-Bromo-4,5-difluorobenzoate
CAS:	878207-28-4
Synonyms:	2-bromo-4,5-difluorobenzoic acid methyl ester; methyl 2-bromo-4,5-difluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-bromo-4,5-difluorobenzoate
Description:	Methyl 2-Bromo-4,5-difluorobenzoate (CAS# 878207-28-4) is a useful research chemical.
Molecular Weight:	251.02
Molecular Formula:	C8H5BrF2O2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1Br)F)F
InChI:	InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3
InChI Key:	ZCGAVEFBZYWYJW-UHFFFAOYSA-N
Boiling Point:	249.5 °C at 760 mmHg
Density:	1.652 g/cm³
MDL:	MFCD08458104
LogP:	2.51390

Publication Number	Title	Priority Date
CN-112010872-A	Electron acceptor material with photo-thermal stability and organic solar cell constructed by electron acceptor material	20200811
US-10800770-B1	Chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212
EP-3835298-A1	Novel chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212
US-2021221802-A1	Novel chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212
WO-2021118629-A1	Novel chroman derivatives having estrogen receptor degradation activity and uses thereof	20191212

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Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.9441
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.9441
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7