1-Butoxy-2-nitrobenzene

C10H13NO3CAS 7252-51-9195.22 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
logP
2.77Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
7252-51-9
SMILES
CCCCOC1=CC=CC=C1[N+](=O)[O-]
InChIKey
VOCILNVWSWTHNE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3

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

Names and synonyms

4 names
  • Benzene, 1-butoxy-2-nitro-
  • o-n-Butoxynitrobenzene
  • 1-Butoxy-2-nitro-benzene
  • n-Butyl o-nitrophenyl ether

Reactions

Work with 1-Butoxy-2-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

1-(2-Nitrophenoxy)octane37682-29-489 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-974 % similar 1-Ethoxy-2-nitrobenzene610-67-372 % similar 1-Butoxy-4-nitrobenzene7244-78-256 % similar O-Nitroanisole91-23-655 % similar 2-Nitrophenoxyacetic acid1878-87-152 % similar 2-Nitrodiphenyl ether2216-12-850 % similar Dinocap39300-45-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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