CID 175393538

C6H7BClO2 — CID 175393538

IUPAC—
SMILES[B](O)O.C1=CC2=CC=C21.Cl
InChIInChI=1S/C6H4.BH2O2.ClH/c1-2-6-4-3-5(1)6;2-1-3;/h1-4H;2-3H;1H
InChIKeyXZFBRRSPVQGZKH-UHFFFAOYSA-N
MW157.38 g/mol
LogP—
Rot. Bonds

About CID 175393538

CID 175393538 (PubChem CID 175393538) has the molecular formula C6H7BClO2 and a molecular weight of 157.38 g/mol.

Molecular Properties

Compound NameCID 175393538
PubChem CID175393538
Molecular FormulaC6H7BClO2
Molecular Weight157.38 g/mol
Exact Mass157.02
IUPAC Name—
SMILES[B](O)O.C1=CC2=CC=C21.Cl
InChIInChI=1S/C6H4.BH2O2.ClH/c1-2-6-4-3-5(1)6;2-1-3;/h1-4H;2-3H;1H
InChIKeyXZFBRRSPVQGZKH-UHFFFAOYSA-N
XLogP—
TPSA40.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity51

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 175393538?
The IUPAC name of CID 175393538 (CID 175393538) is not available.
What is the SMILES notation for CID 175393538?
The canonical SMILES for CID 175393538 is [B](O)O.C1=CC2=CC=C21.Cl.
What is the InChIKey of CID 175393538?
The InChIKey is XZFBRRSPVQGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.BH2O2.ClH/c1-2-6-4-3-5(1)6;2-1-3;/h1-4H;2-3H;1H.
What are the key properties of CID 175393538?
CID 175393538 has a molecular weight of 157.38 g/mol, XLogP of not available, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175393538 is sourced from PubChem (CID 175393538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).