(7-nitro-9H-fluoren-2-yl) hydrogen sulfate

C13H9NO6S — CID 54049800

IUPAC(7-nitro-9H-fluoren-2-yl) hydrogen sulfate
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc(OS(=O)(=O)O)ccc1-2
InChIInChI=1S/C13H9NO6S/c15-14(16)10-1-3-12-8(6-10)5-9-7-11(2-4-13(9)12)20-21(17,18)19/h1-4,6-7H,5H2,(H,17,18,19)
InChIKeyLSCADFGNYRBQTO-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.35
Rot. Bonds3

About (7-nitro-9H-fluoren-2-yl) hydrogen sulfate

(7-nitro-9H-fluoren-2-yl) hydrogen sulfate (PubChem CID 54049800) has the molecular formula C13H9NO6S and a molecular weight of 307.28 g/mol. Its IUPAC name is (7-nitro-9H-fluoren-2-yl) hydrogen sulfate.

Molecular Properties

Compound Name(7-nitro-9H-fluoren-2-yl) hydrogen sulfate
PubChem CID54049800
Molecular FormulaC13H9NO6S
Molecular Weight307.28 g/mol
Exact Mass307.02
IUPAC Name(7-nitro-9H-fluoren-2-yl) hydrogen sulfate
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1cc(OS(=O)(=O)O)ccc1-2
InChIInChI=1S/C13H9NO6S/c15-14(16)10-1-3-12-8(6-10)5-9-7-11(2-4-13(9)12)20-21(17,18)19/h1-4,6-7H,5H2,(H,17,18,19)
InChIKeyLSCADFGNYRBQTO-UHFFFAOYSA-N
XLogP2.35
TPSA106.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dinitro-9H-fluorene
CID 3582885
(4-nitro-2-sulfooxyphenyl) hydrogen sulfate
CID 15643718
N,N-dimethyl-7-nitro-9H-fluoren-2-amine
CID 3762473
methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate
CID 129387495
3-bromo-7-nitro-9H-fluoren-2-amine
CID 125496214
(2-methoxy-5-nitrophenyl) hydrogen sulfate
CID 91556301
copper;2,4,7-trinitro-9H-fluorene
CID 174761143
1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine
CID 5136816
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335
CID 88515722
CID 88515722
butyl 7-nitro-9H-fluorene-4-carboxylate
CID 10686463
3,6-dinitro-9H-xanthene
CID 23462424

Frequently Asked Questions

What is the IUPAC name of (7-nitro-9H-fluoren-2-yl) hydrogen sulfate?
The IUPAC name of (7-nitro-9H-fluoren-2-yl) hydrogen sulfate (CID 54049800) is (7-nitro-9H-fluoren-2-yl) hydrogen sulfate.
What is the SMILES notation for (7-nitro-9H-fluoren-2-yl) hydrogen sulfate?
The canonical SMILES for (7-nitro-9H-fluoren-2-yl) hydrogen sulfate is O=[N+]([O-])c1ccc2c(c1)Cc1cc(OS(=O)(=O)O)ccc1-2.
What is the InChIKey of (7-nitro-9H-fluoren-2-yl) hydrogen sulfate?
The InChIKey is LSCADFGNYRBQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO6S/c15-14(16)10-1-3-12-8(6-10)5-9-7-11(2-4-13(9)12)20-21(17,18)19/h1-4,6-7H,5H2,(H,17,18,19).
What are the key properties of (7-nitro-9H-fluoren-2-yl) hydrogen sulfate?
(7-nitro-9H-fluoren-2-yl) hydrogen sulfate has a molecular weight of 307.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-nitro-9H-fluoren-2-yl) hydrogen sulfate is sourced from PubChem (CID 54049800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).