2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene

C13H8BrCl3 — CID 134625631

IUPAC2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene
SMILESClc1ccc(Cl)c(-c2ccc(Cl)c(CBr)c2)c1
InChIInChI=1S/C13H8BrCl3/c14-7-9-5-8(1-3-12(9)16)11-6-10(15)2-4-13(11)17/h1-6H,7H2
InChIKeyTXZXLQSKHVULIE-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.21
Rot. Bonds2

About 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene

2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene (PubChem CID 134625631) has the molecular formula C13H8BrCl3 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene
PubChem CID134625631
Molecular FormulaC13H8BrCl3
Molecular Weight350.47 g/mol
Exact Mass347.89
IUPAC Name2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene
SMILESClc1ccc(Cl)c(-c2ccc(Cl)c(CBr)c2)c1
InChIInChI=1S/C13H8BrCl3/c14-7-9-5-8(1-3-12(9)16)11-6-10(15)2-4-13(11)17/h1-6H,7H2
InChIKeyTXZXLQSKHVULIE-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

[5-(2,5-dichlorophenyl)-2-fluorophenyl]methanol
CID 118824338
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
1,4-dichloro-2-(3-phenylphenyl)benzene
CID 86205673
1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,4,5-trichlorobenzene
CID 134625583
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
CID 134629445
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
6-[5-(2,5-dichlorophenyl)-2-ethylphenyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
CID 91108411
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene?
The IUPAC name of 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene (CID 134625631) is 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene.
What is the SMILES notation for 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene?
The canonical SMILES for 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene is Clc1ccc(Cl)c(-c2ccc(Cl)c(CBr)c2)c1.
What is the InChIKey of 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene?
The InChIKey is TXZXLQSKHVULIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3/c14-7-9-5-8(1-3-12(9)16)11-6-10(15)2-4-13(11)17/h1-6H,7H2.
What are the key properties of 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene?
2-(bromomethyl)-1-chloro-4-(2,5-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 2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene is sourced from PubChem (CID 134625631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).