o-((Dicyanomethyl)azo)benzoic acid
Basic information
- CAS
5466-15-9- Standard SMILES
N#CC(C#N)N=Nc1ccccc1C(=O)O- InChIKey
FDCSZMOHOIBWGW-UHFFFAOYSA-N- Molecular formula
- C10H6N4O2
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.04907545
Names & identifiers
- Preferred name
- o-((Dicyanomethyl)azo)benzoic acid
- IUPAC
- 2-(dicyanomethyldiazenyl)benzoic acid
Names & synonyms
o-((Dicyanomethyl)azo)benzoic acid5466-15-9Benzoic acid, 2-((dicyanomethyl)azo)-BENZOIC ACID, o-((DICYANOMETHYL)AZO)-JFD2WF5NN3NSC-25808NSC 25808BRN 4747201Phenyl-azo-malonitril-2-karbonsaeure [German]NSC25808Phenyl-azo-malonitril-2-karbonsaeureUNII-JFD2WF5NN3
Database identifiers
- CAS
5466-15-9- PubChem CID
- 21627
- UNII
- JFD2WF5NN3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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