4-Bromo-2,5-difluorobenzoic Acid - CAS 28314-82-1

Catalog:	BB019807
Product Name:	4-Bromo-2,5-difluorobenzoic Acid
CAS:	28314-82-1
Synonyms:	4-bromo-2,5-difluorobenzoic acid; 4-bromo-2,5-difluorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2,5-difluorobenzoic acid
Description:	4-Bromo-2,5-difluorobenzoic Acid (CAS# 28314-82-1) is a useful research chemical.
Molecular Weight:	237.00
Molecular Formula:	C7H3BrF2O2
Canonical SMILES:	C1=C(C(=CC(=C1F)Br)F)C(=O)O
InChI:	InChI=1S/C7H3BrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChI Key:	YWZSTHLOAZTDFJ-UHFFFAOYSA-N
LogP:	2.42550

Publication Number	Title	Priority Date
CN-113200938-A	Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application	20210520
WO-2021169963-A1	Aromatic compound and use thereof in preparing antineoplastic drugs	20200224
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
WO-2021126999-A1	Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor	20191217
WO-2020239123-A1	Aromatic heterocyclic derivative modulator and preparation method therefor and use thereof	20190531

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.92845
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.92845
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3