1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene

C8H4BrCl5 — CID 20513661

IUPAC1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene
SMILESClC(Cl)c1cc(Br)cc(C(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H4BrCl5/c9-6-2-4(7(10)11)1-5(3-6)8(12,13)14/h1-3,7H
InChIKeyOUNFMIAANXWNKM-UHFFFAOYSA-N
MW357.29 g/mol
LogP5.75
Rot. Bonds1

About 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene

1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene (PubChem CID 20513661) has the molecular formula C8H4BrCl5 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene
PubChem CID20513661
Molecular FormulaC8H4BrCl5
Molecular Weight357.29 g/mol
Exact Mass353.79
IUPAC Name1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene
SMILESClC(Cl)c1cc(Br)cc(C(Cl)(Cl)Cl)c1
InChIInChI=1S/C8H4BrCl5/c9-6-2-4(7(10)11)1-5(3-6)8(12,13)14/h1-3,7H
InChIKeyOUNFMIAANXWNKM-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.29
LogP ≤ 55.75
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-bromo-3-(chloromethyl)-5-(trichloromethyl)benzene
CID 57045740
2-(3-bromo-5-tert-butylphenyl)propanedinitrile
CID 12964451
2-bromo-1-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 70189456
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171226723
(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 131485773
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
1,3-dichloro-5-(dichloromethyl)benzene
CID 19898502
1-bromo-3-(2-chloropropan-2-yl)-5-methylbenzene
CID 159521418
1-bromo-3-(1-chloroethyl)-5-methylbenzene
CID 130132226
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene?
The IUPAC name of 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene (CID 20513661) is 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene.
What is the SMILES notation for 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene?
The canonical SMILES for 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene is ClC(Cl)c1cc(Br)cc(C(Cl)(Cl)Cl)c1.
What is the InChIKey of 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene?
The InChIKey is OUNFMIAANXWNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl5/c9-6-2-4(7(10)11)1-5(3-6)8(12,13)14/h1-3,7H.
What are the key properties of 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene?
1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene has a molecular weight of 357.29 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(dichloromethyl)-5-(trichloromethyl)benzene is sourced from PubChem (CID 20513661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).