Basic information
- CAS
27389-84-0- Standard SMILES
COc1cc(C=C(C#N)C#N)cc(I)c1O- InChIKey
BZIXGOBJBFWPTF-UHFFFAOYSA-N- Molecular formula
- C11H7IN2O2
- Average molar mass
- 326.09 g/mol
- Monoisotopic mass
- 325.95523
Names & identifiers
- Preferred name
- 2-[(4-Hydroxy-3-iodo-5-methoxyphenyl)methylene]malononitrile
- IUPAC
- 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile
- English name
- 2-[(4-HYDROXY-3-IODO-5-METHOXYPHENYL)METHYLENE]MALONONITRILE
- Molecular formula
- C11H7IN2O2
- Molecular weight
- 326.09
Names & synonyms
27389-84-02-(4-Hydroxy-3-iodo-5-methoxybenzylidene)malononitrile2-[(4-Hydroxy-3-iodo-5-methoxyphenyl)methylene]malononitrile2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrileSCHEMBL6214676BZIXGOBJBFWPTF-UHFFFAOYSA-NDTXSID801174642AKOS024319658SR-010002067473-methoxy-4-hydroxy-5-iodobenzylidene malononitrileSR-01000206747-1[(4-Hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile
Show more names
RARECHEM AL BX 0100Propanedinitrile, 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]-
2-(4-HYDROXY-3-IODO-5-METHOXY-BENZYLIDENE)-MALONONITRILE2-[(4-Hydroxy-3-iodo-5-methoxyphenyl)methylene]propanedinitrile
Database identifiers
- CAS
27389-84-0- PubChem CID
- 52113
- DTXSID
DTXSID801174642
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers1 total
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
6 records
Compound notes
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