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6-Hydroxy-1-nitrobenzo(e)pyrene
[CAS# 115664-50-1]

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Identification
Name 6-Hydroxy-1-nitrobenzo(e)pyrene
Synonyms 1-Nitrobenzo(E)Pyren-6-Ol; 6-Hydroxy-1-Nitrobenzo(E)Pyrene; Benzo(E)Pyren-3-Ol, 8-Nitro-
Molecular Structure CAS#: 115664-50-1, 6-Hydroxy-1-nitrobenzo(e)pyrene
Molecular Formula C20H11NO3
Molecular Weight 313.31
CAS Registry Number 115664-50-1
SMILES C1=CC(=C5C2=C4C(=C3C(=C12)C=CC=C3)C(=CC=C4C=C5)[N+]([O-])=O)O
InChI 1S/C20H11NO3/c22-17-10-8-14-12-3-1-2-4-13(12)20-16(21(23)24)9-6-11-5-7-15(17)19(14)18(11)20/h1-10,22H
InChIKey RFVBTMAHKTUIBO-UHFFFAOYSA-N
Properties
Density 1.518g/cm3 (Cal.)
Boiling point 592.674°C at 760 mmHg (Cal.)
Flash point 245.936°C (Cal.)
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