5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene

C13H7BrCl4 — CID 134617193

IUPAC5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene
SMILESClc1cc(-c2cccc(Cl)c2CBr)cc(Cl)c1Cl
InChIInChI=1S/C13H7BrCl4/c14-6-9-8(2-1-3-10(9)15)7-4-11(16)13(18)12(17)5-7/h1-5H,6H2
InChIKeyVQZBZHZUKZLPER-UHFFFAOYSA-N
MW384.92 g/mol
LogP6.86
Rot. Bonds2

About 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene

5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene (PubChem CID 134617193) has the molecular formula C13H7BrCl4 and a molecular weight of 384.92 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene.

Molecular Properties

Compound Name5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene
PubChem CID134617193
Molecular FormulaC13H7BrCl4
Molecular Weight384.92 g/mol
Exact Mass381.85
IUPAC Name5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene
SMILESClc1cc(-c2cccc(Cl)c2CBr)cc(Cl)c1Cl
InChIInChI=1S/C13H7BrCl4/c14-6-9-8(2-1-3-10(9)15)7-4-11(16)13(18)12(17)5-7/h1-5H,6H2
InChIKeyVQZBZHZUKZLPER-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.92
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(bromomethyl)-3-chlorophenyl]-2,3,4,5,6-pentachlorobenzene
CID 134617199
1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 118843076
5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene
CID 134628714
2-(bromomethyl)-1-[2-(bromomethyl)-3-phenylphenyl]-3-phenylbenzene
CID 101421136
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
CID 134625577
1-bromo-3-(bromomethyl)-5-(2-chlorophenyl)benzene
CID 67396310
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
1,2,3-trichloro-5-(3-fluoro-2-methoxyphenyl)benzene
CID 134626763
4-(bromomethyl)-3-chloro-5-(3-fluorophenyl)pyridine
CID 118805205
[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
CID 134630647
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene?
The IUPAC name of 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene (CID 134617193) is 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene.
What is the SMILES notation for 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene?
The canonical SMILES for 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene is Clc1cc(-c2cccc(Cl)c2CBr)cc(Cl)c1Cl.
What is the InChIKey of 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene?
The InChIKey is VQZBZHZUKZLPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl4/c14-6-9-8(2-1-3-10(9)15)7-4-11(16)13(18)12(17)5-7/h1-5H,6H2.
What are the key properties of 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene?
5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene has a molecular weight of 384.92 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-3-chlorophenyl]-1,2,3-trichlorobenzene is sourced from PubChem (CID 134617193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).