dichloro(1H-inden-2-yl)borane

C9H7BCl2 — CID 23148935

IUPACdichloro(1H-inden-2-yl)borane
SMILESClB(Cl)C1=Cc2ccccc2C1
InChIInChI=1S/C9H7BCl2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2
InChIKeyVXGTYNQZSVQCDU-UHFFFAOYSA-N
MW196.87 g/mol
LogP3.13
Rot. Bonds1

About dichloro(1H-inden-2-yl)borane

dichloro(1H-inden-2-yl)borane (PubChem CID 23148935) has the molecular formula C9H7BCl2 and a molecular weight of 196.87 g/mol. Its IUPAC name is dichloro(1H-inden-2-yl)borane.

Molecular Properties

Compound Namedichloro(1H-inden-2-yl)borane
PubChem CID23148935
Molecular FormulaC9H7BCl2
Molecular Weight196.87 g/mol
Exact Mass196.00
IUPAC Namedichloro(1H-inden-2-yl)borane
SMILESClB(Cl)C1=Cc2ccccc2C1
InChIInChI=1S/C9H7BCl2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2
InChIKeyVXGTYNQZSVQCDU-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.87
LogP ≤ 53.13
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 dichloro(1H-inden-2-yl)borane?
The IUPAC name of dichloro(1H-inden-2-yl)borane (CID 23148935) is dichloro(1H-inden-2-yl)borane.
What is the SMILES notation for dichloro(1H-inden-2-yl)borane?
The canonical SMILES for dichloro(1H-inden-2-yl)borane is ClB(Cl)C1=Cc2ccccc2C1.
What is the InChIKey of dichloro(1H-inden-2-yl)borane?
The InChIKey is VXGTYNQZSVQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BCl2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2.
What are the key properties of dichloro(1H-inden-2-yl)borane?
dichloro(1H-inden-2-yl)borane has a molecular weight of 196.87 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(1H-inden-2-yl)borane is sourced from PubChem (CID 23148935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).