chempirical

2-Chloro-4-methoxybenzoic acid

C8H7ClO3CAS 21971-21-1186.59 g/mol

Open in Covalent MOL file
OOOHCl
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H7ClO3
Molar mass
186.59 g/mol
Exact mass
186.0084 Da
logP
2.05Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
21971-21-1
SMILES
COC1=CC(=C(C=C1)C(=O)O)Cl
InChIKey
IBANGHTVBPZCHF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

Weigh it out

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

Work with 2-Chloro-4-methoxybenzoic 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

2-Chloro-5-methoxybenzoic acid6280-89-377 % similar 4-Methoxyphthalic acid1885-13-871 % similar 4-Methoxysalicylic acid2237-36-767 % similar 2-Amino-4-methoxybenzoic acid4294-95-567 % similar 2,4-Dimethoxybenzoic acid91-52-167 % similar 2-Fluoro-4-methoxybenzoic acid394-42-363 % similar 2,5-Dimethoxybenzoic acid2785-98-062 % similar 5-Methoxysalicylic acid2612-02-461 % similar

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

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-9 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3 5-Chloro-2-methoxybenzoic acid3438-16-2

Elsewhere

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