2,4-Pentanedione, 3-[(4-chloro-3-nitrophenyl)methylene]-
Basic information
- CAS
137109-81-0- Standard SMILES
CC(=O)C(=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)=O- InChIKey
QWLAIFQFBSUBNS-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO4
- Average molar mass
- 267.66 g/mol
- Monoisotopic mass
- 267.0298355
Names & identifiers
- Preferred name
- 2,4-Pentanedione, 3-[(4-chloro-3-nitrophenyl)methylene]-
- IUPAC
- 3-[(4-chloro-3-nitrophenyl)methylidene]pentane-2,4-dione
Names & synonyms
137109-81-039EF272LMNOR2370OR-2370UNII-39EF272LMN2,4-Pentanedione, 3-[(4-chloro-3-nitrophenyl)methylene]-3-((4-Chloro-3-nitrophenyl)methylene)-2,4-pentanedione3-((4-Chloro-3-nitrophenyl)methylidene)pentane-2,4-dione3-[(4-chloro-3-nitrophenyl)methylidene]pentane-2,4-dione2,4-Pentanedione, 3-((4-chloro-3-nitrophenyl)methylene)-3-[(4-Chloro-3-nitrophenyl)methylene]-2,4-pentanedioneSCHEMBL8040539
Show more names
DTXSID80474705QWLAIFQFBSUBNS-UHFFFAOYSA-N
Database identifiers
- CAS
137109-81-0- PubChem CID
- 11957792
- DTXSID
DTXSID80474705- UNII
- 39EF272LMN
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
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Related reactions
3 records
Compound notes
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