CID 162317323

C2H5Cl2NO2 — CID 162317323

IUPAC—
SMILESCC(=O)O.ClNCl
InChIInChI=1S/C2H4O2.Cl2HN/c1-2(3)4;1-3-2/h1H3,(H,3,4);3H
InChIKeySJEUETCKEFSKFZ-UHFFFAOYSA-N
MW145.97 g/mol
LogP0.97
Rot. Bonds

About CID 162317323

CID 162317323 (PubChem CID 162317323) has the molecular formula C2H5Cl2NO2 and a molecular weight of 145.97 g/mol.

Molecular Properties

Compound NameCID 162317323
PubChem CID162317323
Molecular FormulaC2H5Cl2NO2
Molecular Weight145.97 g/mol
Exact Mass144.97
IUPAC Name—
SMILESCC(=O)O.ClNCl
InChIInChI=1S/C2H4O2.Cl2HN/c1-2(3)4;1-3-2/h1H3,(H,3,4);3H
InChIKeySJEUETCKEFSKFZ-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.97
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162317323?
The IUPAC name of CID 162317323 (CID 162317323) is not available.
What is the SMILES notation for CID 162317323?
The canonical SMILES for CID 162317323 is CC(=O)O.ClNCl.
What is the InChIKey of CID 162317323?
The InChIKey is SJEUETCKEFSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.Cl2HN/c1-2(3)4;1-3-2/h1H3,(H,3,4);3H.
What are the key properties of CID 162317323?
CID 162317323 has a molecular weight of 145.97 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162317323 is sourced from PubChem (CID 162317323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).