4-Chloronaphthalene-1-carboxylic acid

C₁₁H₇ClO₂CAS 1013-04-3206.62 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₇ClO₂
Molar mass: 206.62 g/mol
Exact mass: 206.0135 Da
logP: 3.19Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

1013-04-3

SMILES

C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)O

InChIKey

SHCCGXNIGGRSMX-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

4-Chloro-1-naphthalenecarboxylic acid

Work with 4-Chloronaphthalene-1-carboxylic acid

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

1,4-Naphthalenedicarboxylic acid605-70-974 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-559 % similar 4-Fluoro-1-naphthoic acid573-03-559 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-854 % similar 2,3-Dichlorobenzoic acid50-45-353 % similar 2,5-Dichlorobenzoic acid50-79-353 % similar Phthalic acid88-99-352 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-152 % similar

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

Same formula

5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-7 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-6

Elsewhere

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