chempirical

2-Bromo-3-nitrotoluene

C7H6BrNO2CAS 41085-43-2216.03 g/mol

Open in Covalent MOL file
N+OO−Br
Aryl halideNitro

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
logP
2.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
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
41085-43-2
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])Br
InChIKey
GCAAVRIWNMTOKB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3

Weigh it out

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Work with 2-Bromo-3-nitrotoluene

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

3-Nitro-o-xylene83-41-066 % similar 2-Nitrotoluene88-72-265 % similar 2,3-Dinitrotoluene602-01-764 % similar 2-Bromo-1-chloro-3-nitrobenzene19128-48-462 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-962 % similar 2-Methyl-6-nitrophenol13073-29-560 % similar 2-Fluoro-1-methyl-3-nitrobenzene437-86-560 % similar 2-Methyl-6-nitroaniline570-24-160 % similar

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

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7

Elsewhere

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