4-Bromo-2-(trifluoromethoxy)benzoic Acid - CAS 509142-48-7

Catalog:	BB027267
Product Name:	4-Bromo-2-(trifluoromethoxy)benzoic Acid
CAS:	509142-48-7
Synonyms:	4-bromo-2-(trifluoromethoxy)benzoic acid; 4-bromo-2-(trifluoromethoxy)benzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-(trifluoromethoxy)benzoic acid
Description:	4-Bromo-2-(trifluoromethoxy)benzoic Acid (CAS# 509142-48-7) is a useful research chemical.
Molecular Weight:	285.01
Molecular Formula:	C8H4BrF3O3
Canonical SMILES:	C1=CC(=C(C=C1Br)OC(F)(F)F)C(=O)O
InChI:	InChI=1S/C8H4BrF3O3/c9-4-1-2-5(7(13)14)6(3-4)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key:	LMFGPGVCUFRLQC-UHFFFAOYSA-N
Boiling Point:	272.7 °C at 760 mmHg
Density:	1.797 g/cm³
MDL:	MFCD12546979
LogP:	3.04590

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.92959
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	283.92959
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2