CID 88944737

C15H10BClO2 — CID 88944737

IUPAC—
SMILES[B]c1ccc(C(=O)O)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H10BClO2/c16-14-8-5-12(15(18)19)9-11(14)4-1-10-2-6-13(17)7-3-10/h1-9H,(H,18,19)/b4-1+
InChIKeySTLRGHFCCSVPNN-DAFODLJHSA-N
MW268.51 g/mol
LogP3.00
Rot. Bonds3

About CID 88944737

CID 88944737 (PubChem CID 88944737) has the molecular formula C15H10BClO2 and a molecular weight of 268.51 g/mol.

Molecular Properties

Compound NameCID 88944737
PubChem CID88944737
Molecular FormulaC15H10BClO2
Molecular Weight268.51 g/mol
Exact Mass268.05
IUPAC Name—
SMILES[B]c1ccc(C(=O)O)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H10BClO2/c16-14-8-5-12(15(18)19)9-11(14)4-1-10-2-6-13(17)7-3-10/h1-9H,(H,18,19)/b4-1+
InChIKeySTLRGHFCCSVPNN-DAFODLJHSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67828586
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cesium;4-chlorobenzoic acid;fluoride
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Frequently Asked Questions

What is the IUPAC name of CID 88944737?
The IUPAC name of CID 88944737 (CID 88944737) is not available.
What is the SMILES notation for CID 88944737?
The canonical SMILES for CID 88944737 is [B]c1ccc(C(=O)O)cc1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of CID 88944737?
The InChIKey is STLRGHFCCSVPNN-DAFODLJHSA-N. The full InChI is InChI=1S/C15H10BClO2/c16-14-8-5-12(15(18)19)9-11(14)4-1-10-2-6-13(17)7-3-10/h1-9H,(H,18,19)/b4-1+.
What are the key properties of CID 88944737?
CID 88944737 has a molecular weight of 268.51 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88944737 is sourced from PubChem (CID 88944737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).