2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
313670-97-2- Standard SMILES
COc1ccc(C=C(C#N)C#N)cc1Br- InChIKey
MYCUMQDZUIOCTJ-UHFFFAOYSA-N- Molecular formula
- C11H7BrN2O
- Average molar mass
- 263.09 g/mol
- Monoisotopic mass
- 261.97418
Names & identifiers
- Preferred name
- 2-[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrile
- IUPAC
- 2-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile
- English name
- ((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
- Molecular formula
- C11H7BrN2O
- Molecular weight
- 263.09
Names & synonyms
313670-97-22-[(3-bromo-4-methoxyphenyl)methylidene]propanedinitrile2-(3-Bromo-4-methoxybenzylidene)malononitrile[(3-Bromo-4-methoxyphenyl)methylidene]propanedinitrileHMS1608A19MFCD002453982-[(3-bromo-4-methoxyphenyl)methylene]malononitrileDTXSID10354268AKOS000369809MS-7044CS-0304974Z44300213
Show more names
CHEMBRDG-BB 5284071RARECHEM AL BX 0247(3-BROMO-4-METHOXYBENZYLIDENE)MALONONITRILE2-[(3-Bromo-4-methoxyphenyl)methylene]propanedinitrilePropanedinitrile, 2-[(3-bromo-4-methoxyphenyl)methylene]-((3-BROMO-4-METHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
2-[(3-bromo-4-methoxy-phenyl)methylene]propanedinitrile
Database identifiers
- CAS
313670-97-2- PubChem CID
- 767533
- DTXSID
DTXSID10354268- Nikkaji
- J2.953.040H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 156 °C · 156 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 400.5 · 400.5±45.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…