4-(bromomethyl)-1,2-dichlorobenzene;zinc

C7H5BrCl2Zn — CID 67230004

IUPAC4-(bromomethyl)-1,2-dichlorobenzene;zinc
SMILESClc1ccc(CBr)cc1Cl.[Zn]
InChIInChI=1S/C7H5BrCl2.Zn/c8-4-5-1-2-6(9)7(10)3-5;/h1-3H,4H2;
InChIKeyZCVMZNMJVWSUOH-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.89
Rot. Bonds1

About 4-(bromomethyl)-1,2-dichlorobenzene;zinc

4-(bromomethyl)-1,2-dichlorobenzene;zinc (PubChem CID 67230004) has the molecular formula C7H5BrCl2Zn and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-(bromomethyl)-1,2-dichlorobenzene;zinc.

Molecular Properties

Compound Name4-(bromomethyl)-1,2-dichlorobenzene;zinc
PubChem CID67230004
Molecular FormulaC7H5BrCl2Zn
Molecular Weight305.32 g/mol
Exact Mass301.82
IUPAC Name4-(bromomethyl)-1,2-dichlorobenzene;zinc
SMILESClc1ccc(CBr)cc1Cl.[Zn]
InChIInChI=1S/C7H5BrCl2.Zn/c8-4-5-1-2-6(9)7(10)3-5;/h1-3H,4H2;
InChIKeyZCVMZNMJVWSUOH-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-1,2-dichlorobenzene;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
CID 134629445
4-(bromomethyl)-2-chloro-1-methylsulfanylbenzene
CID 91881519
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
[5-(bromomethyl)-2-chlorophenyl]boronic acid
CID 164890727
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
4-[2-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
CID 89246462
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
CID 19043698
1-[5-(bromomethyl)-2-chlorophenyl]propan-2-one
CID 131096498
1-bromo-5-(bromomethyl)-2-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzene
CID 43622800

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,2-dichlorobenzene;zinc?
The IUPAC name of 4-(bromomethyl)-1,2-dichlorobenzene;zinc (CID 67230004) is 4-(bromomethyl)-1,2-dichlorobenzene;zinc.
What is the SMILES notation for 4-(bromomethyl)-1,2-dichlorobenzene;zinc?
The canonical SMILES for 4-(bromomethyl)-1,2-dichlorobenzene;zinc is Clc1ccc(CBr)cc1Cl.[Zn].
What is the InChIKey of 4-(bromomethyl)-1,2-dichlorobenzene;zinc?
The InChIKey is ZCVMZNMJVWSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2.Zn/c8-4-5-1-2-6(9)7(10)3-5;/h1-3H,4H2;.
What are the key properties of 4-(bromomethyl)-1,2-dichlorobenzene;zinc?
4-(bromomethyl)-1,2-dichlorobenzene;zinc has a molecular weight of 305.32 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,2-dichlorobenzene;zinc is sourced from PubChem (CID 67230004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).