Basic information
- CAS
1159822-80-6- Standard SMILES
COC(=O)c1ccccc1Oc1nccc(Cl)n1- InChIKey
GCBMVEVLKOCOQC-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O3
- Average molar mass
- 264.66 g/mol
- Monoisotopic mass
- 264.0301698
Names & identifiers
- Preferred name
- Methyl 2-(4-chloropyrimidin-2-yloxy)benzoate
- IUPAC
- methyl 2-(4-chloropyrimidin-2-yl)oxybenzoate
- English name
- Methyl 2-(4-chloropyrimidin-2-yloxy)benzoate
- Molecular formula
- C12H9ClN2O3
- Molecular weight
- 264.66
Names & synonyms
1159822-80-6METHYL 2-(4-CHLOROPYRIMIDIN-2-YLOXY)BENZOATEmethyl 2-(4-chloropyrimidin-2-yl)oxybenzoateMFCD12068367Methyl2-((4-chloropyrimidin-2-yl)oxy)benzoateMethyl 2-[(4-chloropyrimidin-2-yl)oxy]benzoateDTXSID30695145Benzoic acid, 2-[(4-chloro-2-pyrimidinyl)oxy]-, methyl esterAKOS025402831SB58896AS-31401CS-0172504
Show more names
F300874METHYL2-(4-CHLOROPYRIMIDIN-2-YLOXY)BENZOATE2-(4-chloro-pyrimidin-2-yloxy)-benzoic acid methyl ester
Database identifiers
- CAS
1159822-80-6- PubChem CID
- 53403232
- DTXSID
DTXSID30695145
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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