4-Bromothiophene-2-acetic acid - CAS 161942-89-8

Name: 4-Bromothiophene-2-acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011798
Product Name:	4-Bromothiophene-2-acetic acid
CAS:	161942-89-8
Synonyms:	2-(4-bromothiophen-2-yl)acetic acid

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Computed Properties

IUPAC Name:	2-(4-bromothiophen-2-yl)acetic acid
Description:	4-Bromothiophene-2-acetic acid (CAS# 161942-89-8) is a useful research chemical.
Molecular Weight:	221.07
Molecular Formula:	C6H5BrO2S
Canonical SMILES:	C1=C(SC=C1Br)CC(=O)O
InChI:	InChI=1S/C6H5BrO2S/c7-4-1-5(10-3-4)2-6(8)9/h1,3H,2H2,(H,8,9)
InChI Key:	RQLBAXZWESSFHI-UHFFFAOYSA-N
Boiling Point:	331.2 °C at 760 mmHg
Density:	1.804 g/cm³
Appearance:	Solid
MDL:	MFCD09839310
LogP:	2.13770

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Related Functional Groups

Thiophenes

[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[79485-96-4]C6H7BrS
3-Bromo-2,4-dimethylthiophene
[74556-81-3]C12H9ClO3S
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[1263280-02-9]C11H9FO2S
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[63273-26-7]C6H5BrO2S
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[4815-36-5]C13H13NO2S
Ethyl 2-amino-4-phenylthiophene-3-carboxylate

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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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020099858-A1	Cephalosporin ciprofloxacin hybrid compounds	20181112
KR-20200032002-A	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
WO-2020060112-A1	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
KR-102130253-B1	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917
KR-20200078465-A	Novel thiazole derivatives and pharmaceutically acceptable salts thereof	20180917

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.91936
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.91936
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8