CID 134105199

C10H9ClNO4- — CID 134105199

IUPAC—
SMILESO=[N+]([O-])[C-]1COC(c2ccccc2Cl)OC1
InChIInChI=1S/C10H9ClNO4/c11-9-4-2-1-3-8(9)10-15-5-7(6-16-10)12(13)14/h1-4,10H,5-6H2/q-1
InChIKeyXNGAQGXTLYPIFZ-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.19
Rot. Bonds2

About CID 134105199

CID 134105199 (PubChem CID 134105199) has the molecular formula C10H9ClNO4- and a molecular weight of 242.64 g/mol.

Molecular Properties

Compound NameCID 134105199
PubChem CID134105199
Molecular FormulaC10H9ClNO4-
Molecular Weight242.64 g/mol
Exact Mass242.02
IUPAC Name—
SMILESO=[N+]([O-])[C-]1COC(c2ccccc2Cl)OC1
InChIInChI=1S/C10H9ClNO4/c11-9-4-2-1-3-8(9)10-15-5-7(6-16-10)12(13)14/h1-4,10H,5-6H2/q-1
InChIKeyXNGAQGXTLYPIFZ-UHFFFAOYSA-N
XLogP2.19
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134105199?
The IUPAC name of CID 134105199 (CID 134105199) is not available.
What is the SMILES notation for CID 134105199?
The canonical SMILES for CID 134105199 is O=[N+]([O-])[C-]1COC(c2ccccc2Cl)OC1.
What is the InChIKey of CID 134105199?
The InChIKey is XNGAQGXTLYPIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClNO4/c11-9-4-2-1-3-8(9)10-15-5-7(6-16-10)12(13)14/h1-4,10H,5-6H2/q-1.
What are the key properties of CID 134105199?
CID 134105199 has a molecular weight of 242.64 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134105199 is sourced from PubChem (CID 134105199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).