Methyl 3-Bromo-4-chlorobenzoate - CAS 107947-17-1

Name: Methyl 3-Bromo-4-chlorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002152
Product Name:	Methyl 3-Bromo-4-chlorobenzoate
CAS:	107947-17-1
Synonyms:	3-bromo-4-chlorobenzoic acid methyl ester; methyl 3-bromo-4-chlorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-bromo-4-chlorobenzoate
Description:	Methyl 3-Bromo-4-chlorobenzoate (CAS# 107947-17-1) is a useful research chemical.
Molecular Weight:	249.49
Molecular Formula:	C8H6BrClO2
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)Cl)Br
InChI:	InChI=1S/C8H6BrClO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key:	CLRJXWANIVYEHH-UHFFFAOYSA-N
Boiling Point:	280 °C
Density:	1.604 g/cm³
LogP:	2.88910

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
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Publication Number	Title	Priority Date
TW-201938538-A	Alkynyl-substituted heterocyclic compound, preparation method therefor and medical use therefor for effectively treating and/or preventing FGFR-related diseases such as tumors	20180316
WO-2018224455-A1	Substituted cyclopropyl derivatives	20170607
AU-2018252880-A1	An isoxazole derivatives as nuclear receptor agonists and used thereof	20170412
CA-3059869-A1	Isoxazole derivatives as nuclear receptor agonists and uses thereof	20170412
CN-110678450-A	Isoxazole derivatives as nuclear receptor agonists and uses thereof	20170412

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.92397
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.92397
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1