2,3-Dimethyl-4-nitrophenol

C8H9NO3CAS 19499-93-5167.16 g/mol

Open in Covalent MOL file
HON+OO−
NitroPhenol

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
logP
1.92Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
19499-93-5
SMILES
CC1=C(C=CC(=C1C)O)[N+](=O)[O-]
InChIKey
DAEZHJNJHQAEPE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3

Weigh it out

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Work with 2,3-Dimethyl-4-nitrophenol

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-Methyl-3-nitrophenol5460-31-172 % similar 2,3-Dimethyl-4-fluoronitrobenzene1736-87-459 % similar 2,6-Dinitrotoluene606-20-258 % similar 4-Methyl-2-nitrophenol119-33-557 % similar 5-Methyl-2-nitrophenol700-38-957 % similar 2,4-Dinitroresorcinol519-44-856 % similar 1-Methoxy-2,3-dimethyl-4-nitrobenzene81029-03-056 % similar 4-Nitro-1-naphthol605-62-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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