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15110-74-4 molecular structure
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2,5-dinitro-9H-fluorene

ChemBase ID: 108167
Molecular Formular: C13H8N2O4
Molecular Mass: 256.21362
Monoisotopic Mass: 256.04840675
SMILES and InChIs

SMILES:
[O-][N+](=O)c1ccc2c(Cc3cccc(c23)[N+](=O)[O-])c1
Canonical SMILES:
[O-][N+](=O)c1ccc2c(c1)Cc1c2c(ccc1)[N+](=O)[O-]
InChI:
InChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2
InChIKey:
XHAHNUAISBGLEX-UHFFFAOYSA-N

Cite this record

CBID:108167 http://www.chembase.cn/molecule-108167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dinitro-9H-fluorene
IUPAC Traditional name
2,5-dinitro-9H-fluorene
Synonyms
2,5-DINITROFLUORENE
CAS Number
15110-74-4
EC Number
239-159-8
PubChem SID
162093911
PubChem CID
27047

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05206309 external link Add to cart Please log in.
Data Source Data ID
PubChem 27047 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.608857  H Acceptors
H Donor LogD (pH = 5.5) 3.6189878 
LogD (pH = 7.4) 3.6189878  Log P 3.6189878 
Molar Refractivity 69.5228 cm3 Polarizability 26.038204 Å3
Polar Surface Area 91.64 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
LL7170000 expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05206309 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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