chempirical

Chlorflurenol

C14H9ClO3CAS 2464-37-1260.67 g/mol

Open in Covalent MOL file
OHOHOCl
AlcoholAryl halideCarboxylic acid

Properties

Molecular formula
C14H9ClO3
Molar mass
260.67 g/mol
Exact mass
260.0240 Da
Melting point
152 °C
logP
2.64Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
2464-37-1
SMILES
O=C(O)C1(O)c2ccccc2-c2ccc(Cl)cc21
InChIKey
SVOAUHHKPGKPQK-UHFFFAOYSA-N
InChI
InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)

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

Names and synonyms

8 names
  • 9H-Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy-
  • Fluorene-9-carboxylic acid, 2-chloro-9-hydroxy-
  • 2-Chloro-9-hydroxy-9H-fluorene-9-carboxylic acid
  • 2-Chloro-9-hydroxyfluorene-9-carboxylic acid
  • IT 3299
  • Chlorflurecol
  • CME 73170P
  • NSC 102385

Work with Chlorflurenol

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

Flurenol467-69-671 % similar Chlorflurenol methyl2536-31-464 % similar Benzilic acid76-93-746 % similar Flurenol-methyl ester1216-44-042 % similar 1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-640 % similar 1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-339 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-638 % similar 4-Chloro-2-(trifluoromethyl)benzoic acid142994-09-038 % similar

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

Same formula

2-(4-Chlorobenzoyl)benzoic acid85-56-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook