Ethyl 4-Bromo-3-(trifluoromethyl)benzoate - CAS 463355-64-8

Catalog:	BB026118
Product Name:	Ethyl 4-Bromo-3-(trifluoromethyl)benzoate
CAS:	463355-64-8
Synonyms:	4-bromo-3-(trifluoromethyl)benzoic acid ethyl ester; ethyl 4-bromo-3-(trifluoromethyl)benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-bromo-3-(trifluoromethyl)benzoate
Description:	Ethyl 4-Bromo-3-(trifluoromethyl)benzoate (CAS# 463355-64-8) is a useful research chemical.
Molecular Weight:	297.07
Molecular Formula:	C10H8BrF3O2
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1)Br)C(F)(F)F
InChI:	InChI=1S/C10H8BrF3O2/c1-2-16-9(15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,2H2,1H3
InChI Key:	WFVVYJMUQCKDEC-UHFFFAOYSA-N
LogP:	3.64460

Publication Number	Title	Priority Date
WO-2020114475-A1	Aromatic ring derivative as immunoregulation and preparation method and application of aromatic ring derivative	20181206
EP-3226858-A1	Imidazole-based antimicrobial agents	20141204
US-10314820-B2	Imidazole-based heterocyclic compounds	20141204
US-10322110-B2	Imidazole-based antimicrobial agents	20141204
US-10456379-B2	Imidazole-based antimicrobial agents	20141204

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.96598
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.96598
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7