Benzeneacetic acid, 3,6-dichloro-2-methoxy-
Basic information
- CAS
3004-74-8- Standard SMILES
COc1c(Cl)ccc(Cl)c1CC(=O)O- InChIKey
ZXWITGPTJLSCTQ-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.9850495
Names & identifiers
- Preferred name
- Benzeneacetic acid, 3,6-dichloro-2-methoxy-
- IUPAC
- 2-(3,6-dichloro-2-methoxyphenyl)acetic acid
- English name
- 3,6-DICHLORO-2-METHOXYPHENYLACETIC ACID
- Molecular formula
- C9H8Cl2O3
- Molecular weight
- 0
Names & synonyms
3004-74-83,6-Dichloro-2-methoxybenzeneacetic acidBenzeneacetic acid, 3,6-dichloro-2-methoxy-DTXSID70184104RefChem:324130DTXCID401065952-(3,6-dichloro-2-methoxyphenyl)acetic acidSCHEMBL86676112-Methoxy-3,6-dichlor-phenylessigsaure(3,6-DICHLORO-2-METHOXYPHENYL)ACETIC ACID3,6-DICHLORO-2-METHOXYPHENYLACETIC ACID(2-Methoxy-3,6-dichlorophenyl)acetic acid
Database identifiers
- CAS
3004-74-8- PubChem CID
- 18154
- DTXSID
DTXSID70184104- Nikkaji
- J424.704C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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