Basic information
- CAS
20061-60-3- Standard SMILES
O=c1c2cc(Cl)ccc2oc2ccc([N+](=O)[O-])cc12- InChIKey
TUDDRRQTAGXRQI-UHFFFAOYSA-N- Molecular formula
- C13H6ClNO4
- Average molar mass
- 275.64 g/mol
- Monoisotopic mass
- 274.9985354
Names & identifiers
- Preferred name
- 2-Chloro-7-nitroxanthen-9-one
- IUPAC
- 2-chloro-7-nitroxanthen-9-one
Names & synonyms
2-Chloro-7-nitroxanthen-9-oneTUDDRRQTAGXRQI-UHFFFAOYSA-N2-Chloro-7-nitro-9H-xanthen-9-one2-Chloro-7-nitro-9H-xanthen-9-one #
Database identifiers
- CAS
20061-60-3- PubChem CID
- 623784
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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