1,4-Naphthalenedione, 2-chloro-3-(methylnitrosoamino)-
Basic information
- CAS
15030-46-3- Standard SMILES
CN(N=O)C1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
QBWWMORRKFZBAN-UHFFFAOYSA-N- Molecular formula
- C11H7ClN2O3
- Average molar mass
- 250.64 g/mol
- Monoisotopic mass
- 250.0145198
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-chloro-3-(methylnitrosoamino)-
- IUPAC
- N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-methylnitrous amide
Names & synonyms
15030-46-31,4-Naphthalenedione, 2-chloro-3-(methylnitrosoamino)-DTXSID80403979N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-methylnitrous amide
Database identifiers
- CAS
15030-46-3- PubChem CID
- 4529327
- DTXSID
DTXSID80403979
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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