4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene

C8H5Br3Cl2 — CID 18443836

IUPAC4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene
SMILESClCc1ccc(Cl)cc1C(Br)(Br)Br
InChIInChI=1S/C8H5Br3Cl2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,4H2
InChIKeyAUDGJJXJUGRJAF-UHFFFAOYSA-N
MW411.75 g/mol
LogP5.37
Rot. Bonds1

About 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene

4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene (PubChem CID 18443836) has the molecular formula C8H5Br3Cl2 and a molecular weight of 411.75 g/mol. Its IUPAC name is 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene.

Molecular Properties

Compound Name4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene
PubChem CID18443836
Molecular FormulaC8H5Br3Cl2
Molecular Weight411.75 g/mol
Exact Mass407.73
IUPAC Name4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene
SMILESClCc1ccc(Cl)cc1C(Br)(Br)Br
InChIInChI=1S/C8H5Br3Cl2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,4H2
InChIKeyAUDGJJXJUGRJAF-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.75
LogP ≤ 55.37
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-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene
CID 22326912
1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene
CID 118830925
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
2-[5-chloro-2-(chloromethyl)phenyl]acetamide
CID 90923910
3-bromo-2-chloro-1-(chloromethyl)-4-fluorobenzene
CID 131587310
1-(chloromethyl)-2,4-bis(trichloromethyl)benzene
CID 18443835
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
CID 79444471
3-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoropropanoic acid
CID 162738006
[4-chloro-2-(chloromethyl)phenyl]hydrazine
CID 130951605
2-(bromomethyl)-4-chloro-1-(trichloromethyl)benzene
CID 23333631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene?
The IUPAC name of 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene (CID 18443836) is 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene.
What is the SMILES notation for 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene?
The canonical SMILES for 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene is ClCc1ccc(Cl)cc1C(Br)(Br)Br.
What is the InChIKey of 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene?
The InChIKey is AUDGJJXJUGRJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3Cl2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,4H2.
What are the key properties of 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene?
4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene has a molecular weight of 411.75 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene is sourced from PubChem (CID 18443836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).