CAS 252955-18-3 3-Bromo-6-hydroxy-2-methylbenzoic acid (HCID 11053451)

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Basic information

CAS: 252955-18-3
Standard SMILES: Cc1c(Br)ccc(O)c1C(=O)O
InChIKey: AJXOCFKDIBBTJK-UHFFFAOYSA-N
Molecular formula: C8H7BrO3
Average molar mass: 231.04 g/mol

Names & identifiers

Preferred name: 3-Bromo-6-hydroxy-2-methylbenzoic acid
IUPAC: 3-bromo-6-hydroxy-2-methylbenzoic acid

Names & synonyms

3-bromo-6-hydroxy-2-methylbenzoic acid252955-18-3RefChem:499079845-141-63-bromo-6-hydroxy-2-methyl-benzoic AcidBenzoic acid, 3-bromo-6-hydroxy-2-methyl-SCHEMBL147587AJXOCFKDIBBTJK-UHFFFAOYSA-NCKA955182-Hydroxy-5-bromo-6-methylbenzoic acid3-bromo-6-hydroxy-2-methyl-benzoicAcidCS-0105595

Show more names

D76566EN300-338288F612255

Database identifiers

CAS: 252955-18-3
PubChem CID: 11053451
EC Number: 845-141-6

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 183

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.