chempirical

1-(2-Bromoethoxy)-4-nitrobenzene

C8H8BrNO3CAS 13288-06-7246.06 g/mol

Open in Covalent MOL file
N+OO−OBr
Alkyl halideEtherNitro

Properties

Molecular formula
C8H8BrNO3
Molar mass
246.06 g/mol
Exact mass
244.9688 Da
logP
2.37Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
13288-06-7
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCBr
InChIKey
YQWCBDNNEZHPMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2

Weigh it out

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Work with 1-(2-Bromoethoxy)-4-nitrobenzene

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-Nitrophenoxy)ethanol16365-27-866 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-066 % similar 1-Butoxy-4-nitrobenzene7244-78-262 % similar 4-Nitrophenethyl bromide5339-26-459 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-356 % similar 2-(4-Nitrophenoxy)acetonitrile33901-46-155 % similar 2-[(4-Nitrophenoxy)methyl]oxirane5255-75-455 % similar N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-153 % similar

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

Elsewhere

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