chloro-bis(2-methylphenyl)borane

C14H14BCl — CID 12848093

IUPACchloro-bis(2-methylphenyl)borane
SMILESCc1ccccc1B(Cl)c1ccccc1C
InChIInChI=1S/C14H14BCl/c1-11-7-3-5-9-13(11)15(16)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyGGBZHWGNWGTZOW-UHFFFAOYSA-N
MW228.53 g/mol
LogP2.65
Rot. Bonds2

About chloro-bis(2-methylphenyl)borane

chloro-bis(2-methylphenyl)borane (PubChem CID 12848093) has the molecular formula C14H14BCl and a molecular weight of 228.53 g/mol. Its IUPAC name is chloro-bis(2-methylphenyl)borane.

Molecular Properties

Compound Namechloro-bis(2-methylphenyl)borane
PubChem CID12848093
Molecular FormulaC14H14BCl
Molecular Weight228.53 g/mol
Exact Mass228.09
IUPAC Namechloro-bis(2-methylphenyl)borane
SMILESCc1ccccc1B(Cl)c1ccccc1C
InChIInChI=1S/C14H14BCl/c1-11-7-3-5-9-13(11)15(16)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKeyGGBZHWGNWGTZOW-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.53
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;(2-methylphenyl)boronic acid
CID 153370115
1,2-xylene
CID 173422016
1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
CID 66838097
CID 66838097
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
1-chloro-2-methylbenzene;ethene
CID 142088810

Frequently Asked Questions

What is the IUPAC name of chloro-bis(2-methylphenyl)borane?
The IUPAC name of chloro-bis(2-methylphenyl)borane (CID 12848093) is chloro-bis(2-methylphenyl)borane.
What is the SMILES notation for chloro-bis(2-methylphenyl)borane?
The canonical SMILES for chloro-bis(2-methylphenyl)borane is Cc1ccccc1B(Cl)c1ccccc1C.
What is the InChIKey of chloro-bis(2-methylphenyl)borane?
The InChIKey is GGBZHWGNWGTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BCl/c1-11-7-3-5-9-13(11)15(16)14-10-6-4-8-12(14)2/h3-10H,1-2H3.
What are the key properties of chloro-bis(2-methylphenyl)borane?
chloro-bis(2-methylphenyl)borane has a molecular weight of 228.53 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(2-methylphenyl)borane is sourced from PubChem (CID 12848093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).