4-Bromo-2-(trifluoromethyl)-1-benzothiophene - CAS 1609047-47-3

Catalog:	BB011678
Product Name:	4-Bromo-2-(trifluoromethyl)-1-benzothiophene
CAS:	1609047-47-3
Synonyms:	4-bromo-2-(trifluoromethyl)-1-benzothiophene; 4-bromo-2-(trifluoromethyl)-1-benzothiophene

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2-(trifluoromethyl)-1-benzothiophene
Description:	4-Bromo-2-(trifluoromethyl)-1-benzothiophene (CAS# 1609047-47-3 ) is a useful research chemical.
Molecular Weight:	281.09
Molecular Formula:	C9H4BrF3S
Canonical SMILES:	C1=CC2=C(C=C(S2)C(F)(F)F)C(=C1)Br
InChI:	InChI=1S/C9H4BrF3S/c10-6-2-1-3-7-5(6)4-8(14-7)9(11,12)13/h1-4H
InChI Key:	HFZXZTYVXNZITI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
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Related Functional Groups

Benzofuran/Benzothiophene

[20532-34-7]
1-benzothiophen-5-ylmethanol
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[4506-71-2]
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[76981-71-0]
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[438228-39-8]
Ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	279.91692
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	279.91692
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6