2'-Chloro-4'-nitroacetophenone

C8H6ClNO3CAS 67818-41-1199.59 g/mol

Open in Covalent MOL file
ON+OO−Cl
Aryl halideKetoneNitro

Properties

Molecular formula
C8H6ClNO3
Molar mass
199.59 g/mol
Exact mass
199.0036 Da
logP
2.45Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
67818-41-1
SMILES
CC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChIKey
BRFBJVQQCATLSZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNO3/c1-5(11)7-3-2-6(10(12)13)4-8(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(2-Chloro-4-nitrophenyl)ethan-1-one

Work with 2'-Chloro-4'-nitroacetophenone

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-Chloro-4-nitrobenzoyl chloride7073-36-167 % similar 2-Chloro-4-nitrobenzoic acid99-60-565 % similar Methyl 2-chloro-4-nitrobenzoate13324-11-364 % similar 3′-Nitroacetophenone121-89-162 % similar 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-661 % similar 1-(2-Fluoro-5-nitrophenyl)ethan-1-one79110-05-761 % similar 2-Chloro-4-nitrobenzhydrazide67345-78-260 % similar Aklomide3011-89-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-3-nitrobenzoyl chloride10397-30-5 2′-Chloro-5′-nitroacetophenone23082-50-0 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook