chempirical

2-Bromo-4-nitro-1,3,5-trimethylbenzene

C9H10BrNO2CAS 90561-85-6244.09 g/mol

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

Properties

Molecular formula
C9H10BrNO2
Molar mass
244.09 g/mol
Exact mass
242.9895 Da
logP
3.28Crippen 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
90561-85-6
SMILES
CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C
InChIKey
IUFDRRDWXUSFBG-UHFFFAOYSA-N
InChI
InChI=1S/C9H10BrNO2/c1-5-4-6(2)9(11(12)13)7(3)8(5)10/h4H,1-3H3

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Names and synonyms

1 names
  • 4-Bromo-2-nitromesitylene

Work with 2-Bromo-4-nitro-1,3,5-trimethylbenzene

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

2,4-Dibromo-1,3,5-trimethylbenzene6942-99-053 % similar Nitromesitylene603-71-453 % similar 3-Bromo-2-nitrotoluene52414-97-851 % similar 2-Bromo-3-nitrotoluene41085-43-250 % similar 3,5-Dimethyl-4-nitrophenol5344-97-850 % similar 2,6-Dimethylnitrobenzene81-20-950 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-448 % similar 2-Bromo-3-nitro-4-picoline23056-45-348 % similar

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

Same formula

Methyl 3-amino-5-bromo-2-methylbenzoate1000342-11-9 Dl-beta-(3-bromophenyl)alanine117391-50-1 Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-0 4-Bromophenylalanine14091-15-7 4-Bromo-L-phenylalanine24250-84-8 (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-4 (S)-3-Amino-3-(3-bromo-phenyl)-propionic acid275826-35-2 (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-3

Elsewhere

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