4-Iodo-2,5,7-trinitro-9h-fluoren-9-one-1-methoxybenzo[c]phenanthrene(1:1)

HCID 263242

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Basic information

CAS: 916-95-0
Standard SMILES: COc1cccc2ccc3ccc4ccccc4c3c12.O=C1c2cc([N+](=O)[O-])cc(I)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIKey: BUYMHFNGPCUCSJ-UHFFFAOYSA-N
Molecular formula: C32H18IN3O8
Average molar mass: 699.4 g/mol
Monoisotopic mass: 699.01386

Names & identifiers

Preferred name: 4-Iodo-2,5,7-trinitro-9h-fluoren-9-one-1-methoxybenzo[c]phenanthrene(1:1)
IUPAC: 4-iodo-2,5,7-trinitrofluoren-9-one;1-methoxybenzo[c]phenanthrene

Names & synonyms

916-95-0NSC976274-iodo-2,5,7-trinitro-9h-fluoren-9-one- 1-methoxybenzo[c]phenanthrene(1:1)DTXSID60294680NSC-976274-Iodo-2,5,7-trinitro-9H-fluoren-9-one--1-methoxybenzo[c]phenanthrene (1/1)

Database identifiers

CAS: 916-95-0
PubChem CID: 263242
DTXSID: DTXSID60294680

Properties

Computed structural properties

Topological polar surface area: 164 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 44
Formal charge: 0
Complexity: 937

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