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

Hazards

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

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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)

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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 2-Chlorobenzoic acid118-91-261 % similar 1-Naphthoic acid86-55-559 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-559 % similar 4-Bromo-1-naphtalenecarboxylic acid16650-55-859 % similar 4-Methyl-1-naphthoic acid4488-40-859 % similar 4-Fluoro-1-naphthoic acid573-03-559 % similar 5-Bromonaphthalene-1-carboxylic acid16726-67-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-7 5-(4-Chlorophenyl)-2-furaldehyde34035-03-5 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-6

Elsewhere

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