(3-chloro-4-methylphenyl)-dimethylborane

C9H12BCl — CID 58436961

IUPAC(3-chloro-4-methylphenyl)-dimethylborane
SMILESCB(C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C9H12BCl/c1-7-4-5-8(10(2)3)6-9(7)11/h4-6H,1-3H3
InChIKeyIYDZQEXNYOXMBL-UHFFFAOYSA-N
MW166.46 g/mol
LogP2.61
Rot. Bonds1

About (3-chloro-4-methylphenyl)-dimethylborane

(3-chloro-4-methylphenyl)-dimethylborane (PubChem CID 58436961) has the molecular formula C9H12BCl and a molecular weight of 166.46 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-dimethylborane.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-dimethylborane
PubChem CID58436961
Molecular FormulaC9H12BCl
Molecular Weight166.46 g/mol
Exact Mass166.07
IUPAC Name(3-chloro-4-methylphenyl)-dimethylborane
SMILESCB(C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C9H12BCl/c1-7-4-5-8(10(2)3)6-9(7)11/h4-6H,1-3H3
InChIKeyIYDZQEXNYOXMBL-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.46
LogP ≤ 52.61
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

[4-(3-chloro-4-methylphenoxy)phenyl]-dimethylborane
CID 58430003
lithium (3-chloro-4-methylphenyl)azanide
CID 101026876
3-chloro-4-methylphenol
CID 14853
tetrakis(3-chloro-4-methylphenyl)boranuide
CID 140736075
(3-chloro-4-methylphenyl)-dimethylsilanylium
CID 100925485
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
3-chloro-N,N,4-trimethylaniline
CID 12637287
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
N-[2-bis(3-chloro-4-methylphenyl)boranyloxyethyl]butan-1-amine
CID 10156477
calcium;3-chloro-4-methylbenzenesulfonic acid;hydride
CID 173480184
bis(3-chloro-4-methylphenyl)-(2-pyridin-2-ylpropan-2-yloxy)borane
CID 10222494
1,5-dichloro-2,4-dimethylbenzene
CID 4174838

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-dimethylborane?
The IUPAC name of (3-chloro-4-methylphenyl)-dimethylborane (CID 58436961) is (3-chloro-4-methylphenyl)-dimethylborane.
What is the SMILES notation for (3-chloro-4-methylphenyl)-dimethylborane?
The canonical SMILES for (3-chloro-4-methylphenyl)-dimethylborane is CB(C)c1ccc(C)c(Cl)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-dimethylborane?
The InChIKey is IYDZQEXNYOXMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BCl/c1-7-4-5-8(10(2)3)6-9(7)11/h4-6H,1-3H3.
What are the key properties of (3-chloro-4-methylphenyl)-dimethylborane?
(3-chloro-4-methylphenyl)-dimethylborane has a molecular weight of 166.46 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-dimethylborane is sourced from PubChem (CID 58436961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).