1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene

C14H10Br3Cl2I — CID 160827893

IUPAC1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
SMILESClc1ccc(Br)c(CBr)c1.Clc1ccc(I)c(CBr)c1
InChIInChI=1S/C7H5Br2Cl.C7H5BrClI/c8-4-5-3-6(10)1-2-7(5)9;8-4-5-3-6(9)1-2-7(5)10/h2*1-3H,4H2
InChIKeySGKPOZAAKVSUJP-UHFFFAOYSA-N
MW615.76 g/mol
LogP7.84
Rot. Bonds2

About 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene

1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene (PubChem CID 160827893) has the molecular formula C14H10Br3Cl2I and a molecular weight of 615.76 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
PubChem CID160827893
Molecular FormulaC14H10Br3Cl2I
Molecular Weight615.76 g/mol
Exact Mass611.68
IUPAC Name1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
SMILESClc1ccc(Br)c(CBr)c1.Clc1ccc(I)c(CBr)c1
InChIInChI=1S/C7H5Br2Cl.C7H5BrClI/c8-4-5-3-6(10)1-2-7(5)9;8-4-5-3-6(9)1-2-7(5)10/h2*1-3H,4H2
InChIKeySGKPOZAAKVSUJP-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.76
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
2-(bromomethyl)-4-chlorophenol
CID 67740326
2-(bromomethyl)-4-fluoro-1-iodobenzene
CID 75412008
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
2-(2-bromo-5-chlorophenyl)acetaldehyde
CID 66159966
1-bromo-5-(bromomethyl)-4-chloro-2-iodobenzene
CID 131576661
(5-chloro-2-iodophenyl)methanesulfonyl chloride
CID 130841670
2-(bromomethyl)-4-chloro-1-(trichloromethyl)benzene
CID 23333631

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene?
The IUPAC name of 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene (CID 160827893) is 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene is Clc1ccc(Br)c(CBr)c1.Clc1ccc(I)c(CBr)c1.
What is the InChIKey of 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene?
The InChIKey is SGKPOZAAKVSUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl.C7H5BrClI/c8-4-5-3-6(10)1-2-7(5)9;8-4-5-3-6(9)1-2-7(5)10/h2*1-3H,4H2.
What are the key properties of 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene?
1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene has a molecular weight of 615.76 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene is sourced from PubChem (CID 160827893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).