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1214-32-0 molecular structure
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7-nitro-9H-fluoren-2-amine

ChemBase ID: 25257
Molecular Formular: C13H10N2O2
Molecular Mass: 226.2307
Monoisotopic Mass: 226.07422757
SMILES and InChIs

SMILES:
[N+](=O)(c1cc2c(c3c(C2)cc(cc3)N)cc1)[O-]
Canonical SMILES:
Nc1ccc2c(c1)Cc1c2ccc(c1)[N+](=O)[O-]
InChI:
InChI=1S/C13H10N2O2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5,14H2
InChIKey:
IJMROTSXJSMTPW-UHFFFAOYSA-N

Cite this record

CBID:25257 http://www.chembase.cn/molecule-25257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-nitro-9H-fluoren-2-amine
IUPAC Traditional name
9H-fluoren-2-amine, 7-nitro-
Synonyms
7-Nitro-9H-fluoren-2-amine
7-Nitro-fluoren-2-amine
NSC 12278
2-Amino-7-nitrofluorene
7-Nitro-9H-fluoren-2-amine
CAS Number
1214-32-0
MDL Number
MFCD00156347
PubChem SID
160988564
PubChem CID
14610

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14610 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.268135  H Acceptors
H Donor LogD (pH = 5.5) 2.8420005 
LogD (pH = 7.4) 2.8499749  Log P 2.8500776 
Molar Refractivity 66.8985 cm3 Polarizability 25.302328 Å3
Polar Surface Area 71.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Ethanol expand Show data source
Apperance
Crystalline Solid expand Show data source
Melting Point
234-235°C expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A618405 external link
A mutagenic aromatic nitro compound.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Kier, L., et al.: Pharmacol. Res., 7, 801 (1990)
  • • Benigni, R., et al.: J. Med. Chem., 38, 629 (1990)
  • • Benigni, R., et al.: Mutat. Res., 371, 29 (1990)
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PATENTS

PATENTS

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INTERNET

INTERNET

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