Basic information
- CAS
22390-55-2- Standard SMILES
Cc1cc(OCC(=O)O)c(Cl)nn1- InChIKey
LTZWBKYJDFECTK-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O3
- Average molar mass
- 202.59 g/mol
- Monoisotopic mass
- 202.0145198
Names & identifiers
- Preferred name
- Acetic acid, ((3-chloro-6-methyl-4-pyridazinyl)oxy)-
- IUPAC
- 2-(3-chloro-6-methylpyridazin-4-yl)oxyacetic acid
- English name
- 2-(3-chloro-6-methyl-pyridazin-4-yl)oxyacetic acid
- Molecular formula
- C7H7ClN2O3
- Molecular weight
- 0
Names & synonyms
22390-55-2BRN 1575613Acetic acid, ((3-chloro-6-methyl-4-pyridazinyl)oxy)-((3-Chloro-6-methyl-4-pyridazinyl)oxy)acetic acidDTXSID901769205-23-11-00133 (Beilstein Handbook Reference)RefChem:315934DTXCID80994112-((3-Chloro-6-methylpyridazin-4-yl)oxy)acetic acid[(3-chloro-6-methylpyridazin-4-yl)oxy]acetic acid2-(3-CHLORO-6-METHYL-PYRIDAZIN-4-YL)OXYACETIC ACID
Database identifiers
- CAS
22390-55-2- PubChem CID
- 211136
- DTXSID
DTXSID90176920
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
LogP-1.22
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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