Anthracene, nitro-
Basic information
- CAS
36925-31-2- Standard SMILES
O=[N+]([O-])c1cccc2cc3ccccc3cc12- InChIKey
JBDYKGMNMDIHFL-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- Anthracene, nitro-
- IUPAC
- 1-nitroanthracene
Names & synonyms
1-nitroanthraceneAnthracene, nitro-NITROANTHRACENEAnthracene, 1-nitro-54738-93-136925-31-2CCRIS 9187alpha-NitroanthraceneT44LBB9ZZFSCHEMBL579426DTXSID7074662SCHEMBL11440963
Show more names
SCHEMBL30696914
Database identifiers
- CAS
36925-31-2、54738-93-1- PubChem CID
- 41165
- DTXSID
DTXSID7074662- UNII
- T44LBB9ZZF
- Nikkaji
- J663.552K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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