chempirical

5-Bromo-2-thiophenecarboxaldehyde

C5H3BrOSCAS 4701-17-1191.04 g/mol

Open in Covalent MOL file
OBrS
AldehydeAryl halide

Properties

Molecular formula
C5H3BrOS
Molar mass
191.04 g/mol
Exact mass
189.9088 Da
Boiling point
115 °C (at 14 Torr)
logP
2.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
4701-17-1
SMILES
O=Cc1ccc(Br)s1
InChIKey
GFBVUFQNHLUCPX-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H

Weigh it out

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

Names and synonyms

11 names
  • 2-Thiophenecarboxaldehyde, 5-bromo-
  • 5-Bromo-2-formylthiophene
  • 2-Bromo-5-formylthiophene
  • 2-Bromo-5-thiophenecarboxaldehyde
  • 5-Bromothiophene-2-carbaldehyde
  • 5-Bromo-2-thiophenaldehyde
  • 2-Formyl-5-bromothiophene
  • 5-Bromothiophene-2-aldehyde
  • 5-Bromothiophen-2-carboxaldehyde
  • 5-Bromo-2-thienylaldehyde
  • 5-Bromo-2-carbonylthiophene

Work with 5-Bromo-2-thiophenecarboxaldehyde

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

5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-177 % similar 2,5-Thiophenedicarboxaldehyde932-95-664 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-450 % similar 2,5-Dibromothiophene3141-27-350 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-750 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-845 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar 5-Nitro-2-thiophenecarboxaldehyde4521-33-942 % similar

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

Same formula

4-Bromo-2-thiophenecarboxaldehyde18791-75-8

Elsewhere

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