3-Bromo-2-nitro-benzo(b)thiophene

C₈H₄BrNO₂SCAS 17402-78-7258.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₈H₄BrNO₂S
Molar mass: 258.09 g/mol
Exact mass: 256.9146 Da
logP: 3.57Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

17402-78-7

SMILES

C1=CC=C2C(=C1)C(=C(S2)[N+](=O)[O-])Br

InChIKey

NEVPNAJUHZJMLO-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrNO2S/c9-7-5-3-1-2-4-6(5)13-8(7)10(11)12/h1-4H

Weigh it out

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

Names and synonyms

1 names

3-Bromo-2-nitro-benzo[B]thiophene

Work with 3-Bromo-2-nitro-benzo(b)thiophene

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

1,4-Dinitronaphthalene6921-26-243 % similar 1-Bromo-2-nitrobenzene577-19-541 % similar 1-Bromo-5-nitronaphthalene5328-76-740 % similar 2-Bromo-1-chloro-3-nitrobenzene19128-48-439 % similar 4-Nitro-1-naphthol605-62-939 % similar 1,5-Dinitronaphthalene605-71-039 % similar 2-Bromo-5-nitrothiophene13195-50-138 % similar 9-Nitroanthracene602-60-838 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook