Basic information
- CAS
1205-50-1- Standard SMILES
COC(=O)c1cc(Cl)c(O)c(OC)c1- InChIKey
ONPNTTNXLNYIJM-UHFFFAOYSA-N- Molecular formula
- C9H9ClO4
- Average molar mass
- 216.62 g/mol
- Monoisotopic mass
- 216.0189365
Names & identifiers
- Preferred name
- Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
- IUPAC
- methyl 3-chloro-4-hydroxy-5-methoxybenzoate
- English name
- methyl 3-chloro-4-hydroxy-5-methoxybenzoate
- Molecular formula
- C9H9ClO4
- Molecular weight
- 216.62
Names & synonyms
Methyl 3-chloro-4-hydroxy-5-methoxybenzoate1205-50-13-Chloro-4-hydroxy-5-methoxy-benzoic acid methyl esterEINECS 214-884-2SCHEMBL1586741Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl esterBenzoic acid,3-chloro-4-hydroxy-5-methoxy-, methyl esterDTXSID10152882DB-304538NS000239223-Chloro-4-hydroxy-5-methoxybenzoic acid methyl ester
Database identifiers
- CAS
1205-50-1- PubChem CID
- 71004
- DTXSID
DTXSID10152882- EC Number
- 214-884-2
- Nikkaji
- J217.050G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
安徽合诺生物科技有限公司0555-2761852
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
4 records
Compound notes
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