chempirical

5-Bromo-2-thiophenecarboxylic acid

C5H3BrO2SCAS 7311-63-9207.04 g/mol

Open in Covalent MOL file
OHOBrS
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3BrO2S
Molar mass
207.04 g/mol
Exact mass
205.9037 Da
Melting point
142 °C
logP
2.21Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
7311-63-9
SMILES
O=C(O)c1ccc(Br)s1
InChIKey
COWZPSUDTMGBAT-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2-Thiophenecarboxylic acid, 5-bromo-
  • 2-Bromo-5-thiophenecarboxylic acid
  • NSC 408675
  • 2-Bromo-5-carboxythiophene

Work with 5-Bromo-2-thiophenecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Thiophenedicarboxylic acid4282-31-968 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-255 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-655 % similar 2-Acetyl-5-bromothiophene5370-25-255 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-553 % similar (5-Bromo-2-thienyl)phenylmethanone31161-46-350 % similar 5-Nitro-2-thiophenecarboxylic acid6317-37-947 % similar 4,5-Dibromo-2-thiophenecarboxylic acid6324-10-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-3-thiophenecarboxylic acid100523-84-0 4-Bromo-3-thiophenecarboxylic acid16694-17-0 4-Bromo-2-thiophenecarboxylic acid16694-18-1 2-Bromo-3-thiophenecarboxylic acid24287-95-4

Elsewhere

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