4-(Chlorosulfonyl)-2-methoxybenzoic acid

HCID 20184580
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Basic information

Standard SMILES
COc1cc(S(=O)(=O)Cl)ccc1C(=O)O
InChIKey
HUHXUTOGWPSXKJ-UHFFFAOYSA-N
Molecular formula
C8H7ClO5S
Average molar mass
250.66 g/mol

Names & identifiers

Preferred name
4-(Chlorosulfonyl)-2-methoxybenzoic acid
IUPAC
4-chlorosulfonyl-2-methoxybenzoic acid

Names & synonyms

4-(chlorosulfonyl)-2-methoxybenzoic acid89469-32-9Salicylic Acid Impurity 1SCHEMBL751534HUHXUTOGWPSXKJ-UHFFFAOYSA-N4-chlorosulfonyl-2-methoxybenzoic acid2-methoxy-4-chlorosulfonyl benzoic acid2-methoxy-4-chlorosulfonyl-benzoic acid

Database identifiers

PubChem CID
20184580

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
89.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
15

Related reactions

11 records
New reaction record

Linked notes

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