2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid

C21H14NO3- — CID 54710511

IUPAC2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
SMILESO=C(O)c1ccccc1/C(=N\[O-])c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H15NO3/c23-21(24)19-8-4-3-7-18(19)20(22-25)14-9-10-17-15(12-14)11-13-5-1-2-6-16(13)17/h1-10,12,25H,11H2,(H,23,24)/p-1/b22-20-
InChIKeyGKOGMTKQUFEPMJ-XDOYNYLZSA-M
MW328.35 g/mol
LogP4.29
Rot. Bonds3

About 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid

2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid (PubChem CID 54710511) has the molecular formula C21H14NO3- and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid.

Molecular Properties

Compound Name2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
PubChem CID54710511
Molecular FormulaC21H14NO3-
Molecular Weight328.35 g/mol
Exact Mass328.10
IUPAC Name2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
SMILESO=C(O)c1ccccc1/C(=N\[O-])c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H15NO3/c23-21(24)19-8-4-3-7-18(19)20(22-25)14-9-10-17-15(12-14)11-13-5-1-2-6-16(13)17/h1-10,12,25H,11H2,(H,23,24)/p-1/b22-20-
InChIKeyGKOGMTKQUFEPMJ-XDOYNYLZSA-M
XLogP4.29
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
CID 54717349
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
1H-azepine;9H-fluorene-2-carboxylic acid
CID 174434519
2-(3-amino-9H-fluoren-1-yl)benzoic acid
CID 151110814
(2E)-1-(9H-fluoren-2-yl)-2-hydrazinylideneethanone
CID 43835389
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
4-(9H-fluoren-2-ylmethylideneamino)benzoic acid
CID 176718188

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid?
The IUPAC name of 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid (CID 54710511) is 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid.
What is the SMILES notation for 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid?
The canonical SMILES for 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid is O=C(O)c1ccccc1/C(=N\[O-])c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid?
The InChIKey is GKOGMTKQUFEPMJ-XDOYNYLZSA-M. The full InChI is InChI=1S/C21H15NO3/c23-21(24)19-8-4-3-7-18(19)20(22-25)14-9-10-17-15(12-14)11-13-5-1-2-6-16(13)17/h1-10,12,25H,11H2,(H,23,24)/p-1/b22-20-.
What are the key properties of 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid?
2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid has a molecular weight of 328.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid is sourced from PubChem (CID 54710511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).