CID 173032071

C3H7B2 — CID 173032071

IUPAC—
SMILES[B]C[B]CC
InChIInChI=1S/C3H7B2/c1-2-5-3-4/h2-3H2,1H3
InChIKeySNNKVIKXCYOWKT-UHFFFAOYSA-N
MW64.71 g/mol
LogP0.67
Rot. Bonds2

About CID 173032071

CID 173032071 (PubChem CID 173032071) has the molecular formula C3H7B2 and a molecular weight of 64.71 g/mol.

Molecular Properties

Compound NameCID 173032071
PubChem CID173032071
Molecular FormulaC3H7B2
Molecular Weight64.71 g/mol
Exact Mass65.07
IUPAC Name—
SMILES[B]C[B]CC
InChIInChI=1S/C3H7B2/c1-2-5-3-4/h2-3H2,1H3
InChIKeySNNKVIKXCYOWKT-UHFFFAOYSA-N
XLogP0.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.71
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173032071?
The IUPAC name of CID 173032071 (CID 173032071) is not available.
What is the SMILES notation for CID 173032071?
The canonical SMILES for CID 173032071 is [B]C[B]CC.
What is the InChIKey of CID 173032071?
The InChIKey is SNNKVIKXCYOWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7B2/c1-2-5-3-4/h2-3H2,1H3.
What are the key properties of CID 173032071?
CID 173032071 has a molecular weight of 64.71 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173032071 is sourced from PubChem (CID 173032071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).