p-((Dicyanomethyl)azo)benzoic acid ethyl ester
Basic information
- CAS
3720-47-6- Standard SMILES
CCOC(=O)c1ccc(N=NC(C#N)C#N)cc1- InChIKey
BFPXLOFMOHHXNB-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.08037557
Names & identifiers
- Preferred name
- p-((Dicyanomethyl)azo)benzoic acid ethyl ester
- IUPAC
- ethyl 4-(dicyanomethyldiazenyl)benzoate
Names & synonyms
p-((Dicyanomethyl)azo)benzoic acid ethyl ester3720-47-6BRN 0665228Phenyl-azo-malonitril-4-karbonsaeure-aethyl-ester [German]BENZOIC ACID, p-((DICYANOMETHYL)AZO)-, ETHYL ESTERPhenyl-azo-malonitril-4-karbonsaeure-aethyl-ester
Database identifiers
- CAS
3720-47-6- PubChem CID
- 19491
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 390
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Compound notes
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