1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene

C13H8BrCl3 — CID 134625649

IUPAC1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene
SMILESClc1cc(CBr)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H8BrCl3/c14-7-8-4-9(6-10(15)5-8)13-11(16)2-1-3-12(13)17/h1-6H,7H2
InChIKeyWTDGJCJEDRKGAV-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.21
Rot. Bonds2

About 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene

1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene (PubChem CID 134625649) has the molecular formula C13H8BrCl3 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene
PubChem CID134625649
Molecular FormulaC13H8BrCl3
Molecular Weight350.47 g/mol
Exact Mass347.89
IUPAC Name1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene
SMILESClc1cc(CBr)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C13H8BrCl3/c14-7-8-4-9(6-10(15)5-8)13-11(16)2-1-3-12(13)17/h1-6H,7H2
InChIKeyWTDGJCJEDRKGAV-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
1-(bromomethyl)-3-chloro-5-[4-(trifluoromethoxy)phenyl]benzene
CID 134625654
9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene
CID 139834387
[3-(2,6-dichlorophenyl)-5-fluorophenyl]methanol
CID 118824355
1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene
CID 67396310
[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
CID 134628956
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
CID 134625577
1-bromo-3-chloro-2-(3-chlorophenyl)benzene
CID 57354961
2-N,4-N-bis[2,6-dichloro-4-(2,6-dichlorophenyl)phenyl]pentane-2,4-diimine
CID 59227527
[5-(2,6-dichlorophenyl)-2-fluorophenyl]methanamine
CID 134631446
4-(2,6-dichlorophenyl)-2-methylaniline
CID 170906772
1-bromo-3-chloro-2-(3-ethylphenyl)benzene
CID 52988182

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene (CID 134625649) is 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene is Clc1cc(CBr)cc(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene?
The InChIKey is WTDGJCJEDRKGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3/c14-7-8-4-9(6-10(15)5-8)13-11(16)2-1-3-12(13)17/h1-6H,7H2.
What are the key properties of 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene?
1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene has a molecular weight of 350.47 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloro-5-(2,6-dichlorophenyl)benzene is sourced from PubChem (CID 134625649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).