2-Nitrochalcone

C15H11NO3CAS 7473-93-0253.26 g/mol

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AlkeneKetoneNitro

Properties

Molecular formula
C15H11NO3
Molar mass
253.26 g/mol
Exact mass
253.0739 Da
logP
3.49Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7473-93-0
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
InChIKey
KTXHLWZQKQDFRF-ZHACJKMWSA-N
InChI
InChI=1S/C15H11NO3/c17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16(18)19/h1-11H/b11-10+

Weigh it out

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Work with 2-Nitrochalcone

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-(2-Nitrophenyl)-2-propenoic acid612-41-963 % similar 2-Nitrocinnamaldehyde1466-88-254 % similar 2-Hydroxychalcone42224-53-354 % similar 2-Hydroxychalcone644-78-054 % similar trans-Chalcone614-47-151 % similar Chalcone94-41-751 % similar 2-Nitrobenzaldehyde552-89-651 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitrochalcone1222-98-6 N-Benzylisatoic anhydride35710-05-5 N-(Carboxymethyl)acridone38609-97-1

Elsewhere

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