1-(bromomethyl)-4-(dichloromethyl)benzene

C8H7BrCl2 — CID 19010251

IUPAC1-(bromomethyl)-4-(dichloromethyl)benzene
SMILESClC(Cl)c1ccc(CBr)cc1
InChIInChI=1S/C8H7BrCl2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2
InChIKeyVVHYNORWRLCVLG-UHFFFAOYSA-N
MW253.95 g/mol
LogP4.06
Rot. Bonds2

About 1-(bromomethyl)-4-(dichloromethyl)benzene

1-(bromomethyl)-4-(dichloromethyl)benzene (PubChem CID 19010251) has the molecular formula C8H7BrCl2 and a molecular weight of 253.95 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(dichloromethyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(dichloromethyl)benzene
PubChem CID19010251
Molecular FormulaC8H7BrCl2
Molecular Weight253.95 g/mol
Exact Mass251.91
IUPAC Name1-(bromomethyl)-4-(dichloromethyl)benzene
SMILESClC(Cl)c1ccc(CBr)cc1
InChIInChI=1S/C8H7BrCl2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2
InChIKeyVVHYNORWRLCVLG-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.95
LogP ≤ 54.06
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-(bromomethyl)-4-[(1R,2S)-1,2-dibromo-2-[4-(bromomethyl)phenyl]ethyl]benzene
CID 98159586
1-[4-(bromomethyl)phenyl]ethanol
CID 90882765
3-bromo-1-[4-(bromomethyl)phenyl]propane-1,2-diol
CID 171861047
1-(bromomethyl)-4-(4-methylpentan-2-yl)benzene
CID 89159529
1-[4-(dichloromethyl)phenyl]propan-2-amine
CID 67566603
4-bromo-1-[4-(bromomethyl)phenyl]butane-1,2-diol
CID 171893074
1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
[4-(bromomethyl)phenyl] thiohypochlorite
CID 19023327
[4-(bromomethyl)phenyl]methanamine
CID 24721042
CID 57470384
CID 57470384
1-(dichloromethyl)-4-iodobenzene
CID 86210274
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(dichloromethyl)benzene?
The IUPAC name of 1-(bromomethyl)-4-(dichloromethyl)benzene (CID 19010251) is 1-(bromomethyl)-4-(dichloromethyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(dichloromethyl)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(dichloromethyl)benzene is ClC(Cl)c1ccc(CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-4-(dichloromethyl)benzene?
The InChIKey is VVHYNORWRLCVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2.
What are the key properties of 1-(bromomethyl)-4-(dichloromethyl)benzene?
1-(bromomethyl)-4-(dichloromethyl)benzene has a molecular weight of 253.95 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(dichloromethyl)benzene is sourced from PubChem (CID 19010251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).