7-Bromo-benzo[C][1,2,5]thiadiazole-4-carbaldehyde

C₇H₃BrN₂OSCAS 1071224-34-4243.08 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃BrN₂OS
Molar mass: 243.08 g/mol
Exact mass: 241.9149 Da
logP: 2.27Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

1071224-34-4

SMILES

C1=C(C2=NSN=C2C(=C1)Br)C=O

InChIKey

VPDPNJVAWKCZEH-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrN2OS/c8-5-2-1-4(3-11)6-7(5)10-12-9-6/h1-3H

Weigh it out

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Names and synonyms

1 names

7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde

Work with 7-Bromo-benzo[C][1,2,5]thiadiazole-4-carbaldehyde

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

4,7-Dibromo-2,1,3-benzothiadiazole15155-41-663 % similar 4-Bromo-2,3-difluorobenzaldehyde644985-24-046 % similar 4-Bromo-2,1,3-benzothiadiazole22034-13-544 % similar 2-Bromobenzaldehyde6630-33-744 % similar 2,5-Dibromobenzaldehyde74553-29-043 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-442 % similar 4-Bromopyridine-3-carbaldehyde154105-64-342 % similar 2,6-Dibromopyridine-3-carboxaldehyde55304-83-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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