chempirical

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

C7H3BrN2OSCAS 1071224-34-4243.08 g/mol

Open in Covalent MOL file
NSNBrO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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

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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

2-Bromobenzaldehyde6630-33-744 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-141 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-041 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-641 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-341 % similar 2-Bromonicotinaldehyde128071-75-038 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-738 % similar 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-138 % similar

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

Elsewhere

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