4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene

C13H7BrCl4 — CID 63436360

IUPAC4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1Cl
InChIInChI=1S/C13H7BrCl4/c14-8-2-4-10(15)9(6-8)13(18)7-1-3-11(16)12(17)5-7/h1-6,13H
InChIKeyMNCABXMYHQZSGM-UHFFFAOYSA-N
MW384.92 g/mol
LogP6.74
Rot. Bonds2

About 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene

4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene (PubChem CID 63436360) has the molecular formula C13H7BrCl4 and a molecular weight of 384.92 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
PubChem CID63436360
Molecular FormulaC13H7BrCl4
Molecular Weight384.92 g/mol
Exact Mass381.85
IUPAC Name4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1Cl
InChIInChI=1S/C13H7BrCl4/c14-8-2-4-10(15)9(6-8)13(18)7-1-3-11(16)12(17)5-7/h1-6,13H
InChIKeyMNCABXMYHQZSGM-UHFFFAOYSA-N
XLogP6.74
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 ≤ 56.74
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

4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333351
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 81295695
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
6-[(5-bromo-2-chlorophenyl)-chloromethyl]-3H-1,3-benzoxazol-2-one
CID 61084408
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875
5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543401
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
CID 63435018

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene (CID 63436360) is 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene is Clc1ccc(C(Cl)c2cc(Br)ccc2Cl)cc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene?
The InChIKey is MNCABXMYHQZSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl4/c14-8-2-4-10(15)9(6-8)13(18)7-1-3-11(16)12(17)5-7/h1-6,13H.
What are the key properties of 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene?
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene has a molecular weight of 384.92 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene is sourced from PubChem (CID 63436360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).