dichloro-(3-methylphenyl)borane

C7H7BCl2 — CID 134904379

IUPACdichloro-(3-methylphenyl)borane
SMILESCc1cccc(B(Cl)Cl)c1
InChIInChI=1S/C7H7BCl2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKeyVXSAJHMKBKJJRG-UHFFFAOYSA-N
MW172.85 g/mol
LogP2.17
Rot. Bonds1

About dichloro-(3-methylphenyl)borane

dichloro-(3-methylphenyl)borane (PubChem CID 134904379) has the molecular formula C7H7BCl2 and a molecular weight of 172.85 g/mol. Its IUPAC name is dichloro-(3-methylphenyl)borane.

Molecular Properties

Compound Namedichloro-(3-methylphenyl)borane
PubChem CID134904379
Molecular FormulaC7H7BCl2
Molecular Weight172.85 g/mol
Exact Mass172.00
IUPAC Namedichloro-(3-methylphenyl)borane
SMILESCc1cccc(B(Cl)Cl)c1
InChIInChI=1S/C7H7BCl2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKeyVXSAJHMKBKJJRG-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.85
LogP ≤ 52.17
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-(3-methylphenyl)borane?
The IUPAC name of dichloro-(3-methylphenyl)borane (CID 134904379) is dichloro-(3-methylphenyl)borane.
What is the SMILES notation for dichloro-(3-methylphenyl)borane?
The canonical SMILES for dichloro-(3-methylphenyl)borane is Cc1cccc(B(Cl)Cl)c1.
What is the InChIKey of dichloro-(3-methylphenyl)borane?
The InChIKey is VXSAJHMKBKJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BCl2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3.
What are the key properties of dichloro-(3-methylphenyl)borane?
dichloro-(3-methylphenyl)borane has a molecular weight of 172.85 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3-methylphenyl)borane is sourced from PubChem (CID 134904379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).