5-Bromo-7-nitroindoline

C₈H₇BrN₂O₂CAS 80166-90-1243.06 g/mol

Open in Covalent MOL file

Aryl halide Nitro Secondary amine

Properties

Molecular formula: C₈H₇BrN₂O₂
Molar mass: 243.06 g/mol
Exact mass: 241.9691 Da
logP: 2.33Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

80166-90-1

SMILES

O=[N+]([O-])c1cc(Br)cc2c1NCC2

InChIKey

VXKXMHDXFLFIFI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h3-4,10H,1-2H2

Weigh it out

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

Names and synonyms

3 names

1H-Indole, 5-bromo-2,3-dihydro-7-nitro-
Indoline, 5-bromo-7-nitro-
5-Bromo-2,3-dihydro-7-nitro-1H-indole

Work with 5-Bromo-7-nitroindoline

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-methyl-1,3-dinitrobenzene95192-64-649 % similar 4-Bromo-2-nitrobenzyl bromide82420-34-647 % similar 4-Bromo-1,2-dinitrobenzene610-38-846 % similar 4-Bromo-2-nitrobenzyl alcohol22996-19-645 % similar 2,5-Dibromo-3-nitropyridine15862-37-045 % similar 1-Acetyl-5-bromo-7-nitroindoline62368-07-445 % similar 2,4-Dibromo-6-nitroaniline827-23-644 % similar 2,5-Dibromonitrobenzene3460-18-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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