1-Bromo-5-nitronaphthalene

C₁₀H₆BrNO₂CAS 5328-76-7252.07 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₁₀H₆BrNO₂
Molar mass: 252.07 g/mol
Exact mass: 250.9582 Da
logP: 3.51Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H318 Causes serious eye damage97.6% of notifiers

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

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number

5328-76-7

SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)[N+](=O)[O-]

InChIKey

OTYRDQXZRJZHOX-UHFFFAOYSA-N

InChI

InChI=1S/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6H

Weigh it out

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

Names and synonyms

1 names

5-Bromo-1-nitro-naphthalene

Work with 1-Bromo-5-nitronaphthalene

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

1,5-Dinitronaphthalene605-71-077 % similar 1-Bromo-2-nitrobenzene577-19-566 % similar 1,4-Dinitronaphthalene6921-26-264 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-463 % similar 1-Nitronaphthalene86-57-761 % similar 4-Benzyl-10,19-diethyl-4,10,19-triaza-1,7,13,16-tetraoxacycloheneicosane397864-11-861 % similar 2-Bromo-6-nitrophenol13073-25-161 % similar 2-Bromo-6-nitrotoluene55289-35-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Bromoquinoline-4-carboxylic acid121490-67-3 N-(4-Bromophenyl)maleimide13380-67-1 4-Bromoquinoline-6-carboxylic acid219763-87-8

Elsewhere

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