chempirical

Chloramphenicol

C11H12Cl2N2O5CAS 2787-09-9323.13 g/mol

Open in Covalent MOL file
HONHOClClOHN+OO−
AlcoholAlkyl halideAmideNitro

Properties

Molecular formula
C11H12Cl2N2O5
Molar mass
323.13 g/mol
Exact mass
322.0123 Da
logP
0.91Crippen estimate
Polar surface area
112.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
6
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2787-09-9
SMILES
C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChIKey
WIIZWVCIJKGZOK-RKDXNWHRSA-N
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1

Weigh it out

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

Work with Chloramphenicol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Chloramphenicol56-75-7

Similar compounds

Chloramphenicol sodium succinate982-57-061 % similar 1-(4-Nitrophenyl)-1,2,3-propanetriol2207-68-355 % similar 2-Amino-1-(4-nitrophenyl)-1,3-propanediol119-62-053 % similar (1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol2964-48-953 % similar Chloramphenicol base716-61-053 % similar (Alphar)-alpha-hydroxy-N-[2-(4-nitrophenyl)ethyl]benzeneacetamide521284-19-542 % similar (2R,3R)-2-((2,2-Dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate16255-48-441 % similar Chloramphenicol palmitate530-43-841 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook