chempirical

Chlorferon

C10H7ClO3CAS 6174-86-3210.61 g/mol

Open in Covalent MOL file
ClOOHO
Aryl halidePhenol

Properties

Molecular formula
C10H7ClO3
Molar mass
210.61 g/mol
Exact mass
210.0084 Da
Melting point
240 °C
logP
2.46Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
6174-86-3
SMILES
Cc1c(Cl)c(=O)oc2cc(O)ccc12
InChIKey
ODZHLDRQCZXQFQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3

Weigh it out

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

Names and synonyms

12 names
  • 2H-1-Benzopyran-2-one, 3-chloro-7-hydroxy-4-methyl-
  • Coumarin, 3-chloro-7-hydroxy-4-methyl-
  • Umbelliferone, 3-chloro-4-methyl-
  • 3-Chloro-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
  • 3-Chloro-7-hydroxy-4-methylcoumarin
  • 3-Chloro-4-methyl-7-hydroxycoumarin
  • Chlorferone
  • 7-Hydroxy-4-methyl-3-chlorocoumarin
  • NSC 24924
  • NSC 44204
  • 3-Chloro-7-hydroxy-4-methyl-2H-chromen-2-one
  • 3-Chloro-7-hydroxy-4-methylchromen-2-one

Work with Chlorferon

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

Urolithin A1143-70-056 % similar Urolithin B1139-83-954 % similar Coumestrol479-13-052 % similar Coumaphos56-72-450 % similar 4-Methylumbelliferone90-33-549 % similar 4',7-Dihydroxyflavone2196-14-741 % similar 7-Hydroxyflavone6665-86-740 % similar 6-Hydroxy-4-methylcoumarin2373-31-139 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook