5-(Bromomethyl)-2,1,3-benzoxadiazole

C₇H₅BrN₂OCAS 32863-31-3213.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BrN₂O
Molar mass: 213.03 g/mol
Exact mass: 211.9585 Da
logP: 2.12Crippen estimate
Polar surface area: 38.9 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

32863-31-3

SMILES

C1=CC2=NON=C2C=C1CBr

InChIKey

BUJFLTNYWUEROF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2O/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4H2

Weigh it out

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

Work with 5-(Bromomethyl)-2,1,3-benzoxadiazole

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-2,1,3-benzoxadiazole51376-06-850 % similar 1,4-Bis(bromomethyl)benzene623-24-544 % similar 1,3-Bis(bromomethyl)benzene626-15-343 % similar 2,1,3-Benzoxadiazole273-09-641 % similar 4,4'-Bis(bromomethyl)-2,2'-bipyridine134457-14-041 % similar 3,4-Dichlorobenzyl bromide18880-04-141 % similar 3,4-Difluorobenzyl bromide85118-01-041 % similar 2-(Bromomethyl)naphthalene939-26-441 % similar

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

Same formula

6-Bromo-4-aza-2-oxindole1190319-62-0 3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one1346809-61-7 3-Amino-6-bromo-1,2-benzisoxazole177995-39-0 5-Bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one183208-34-6 5-Bromo-1,3-dihydro-2H-benzimidazol-2-one39513-26-3

Elsewhere

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