4-Cyanobenzene-1,2-dicarboxamide
Basic information
- CAS
78799-78-7- Standard SMILES
N#Cc1ccc(C(N)=O)c(C(N)=O)c1- InChIKey
UIPRPGDYAFNCBR-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382648
Names & identifiers
- Preferred name
- 4-Cyanobenzene-1,2-dicarboxamide
- IUPAC
- 4-cyanobenzene-1,2-dicarboxamide
Names & synonyms
78799-78-74-cyanobenzene-1,2-dicarboxamideNSC338215DTXSID90318964NSC-338215
Database identifiers
- CAS
78799-78-7- PubChem CID
- 334022
- DTXSID
DTXSID90318964
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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