1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol

C12H8Br2Cl2O — CID 175369538

IUPAC1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol
SMILESClc1ccccc1Br.Oc1ccc(Cl)cc1Br
InChIInChI=1S/C6H4BrClO.C6H4BrCl/c7-5-3-4(8)1-2-6(5)9;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4H
InChIKeyXUHZCSMNGNUDTL-UHFFFAOYSA-N
MW398.91 g/mol
LogP5.91
Rot. Bonds

About 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol

1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol (PubChem CID 175369538) has the molecular formula C12H8Br2Cl2O and a molecular weight of 398.91 g/mol. Its IUPAC name is 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol.

Molecular Properties

Compound Name1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol
PubChem CID175369538
Molecular FormulaC12H8Br2Cl2O
Molecular Weight398.91 g/mol
Exact Mass395.83
IUPAC Name1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol
SMILESClc1ccccc1Br.Oc1ccc(Cl)cc1Br
InChIInChI=1S/C6H4BrClO.C6H4BrCl/c7-5-3-4(8)1-2-6(5)9;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4H
InChIKeyXUHZCSMNGNUDTL-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.91
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Dibromo-4-chlorophenol
CID 21394
2-Bromo-4-chlorophenol
CID 69670
3-Bromo-4-chlorophenol
CID 11564714
Bromodichlorophenol
CID 3016323
2-Bromo-3-chlorophenol
CID 12175703
2-Bromo-4-chloro-5-fluorophenol
CID 18997596
2-Bromo-4-chloro-6-fluorophenol
CID 3838744
Dibrom-p-chlorphenol
CID 20842000
2-Bromo-4-chloro-3-fluorophenol
CID 84690061
2-Bromo-4-chloro-6-iodophenol
CID 19935917
4-Chlorophenol;3,5-dibromophenol
CID 20553878
4-Bromophenol;4-chlorophenol
CID 22105166

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol?
The IUPAC name of 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol (CID 175369538) is 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol.
What is the SMILES notation for 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol?
The canonical SMILES for 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol is Clc1ccccc1Br.Oc1ccc(Cl)cc1Br.
What is the InChIKey of 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol?
The InChIKey is XUHZCSMNGNUDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO.C6H4BrCl/c7-5-3-4(8)1-2-6(5)9;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4H.
What are the key properties of 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol?
1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol has a molecular weight of 398.91 g/mol, XLogP of 5.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol is sourced from PubChem (CID 175369538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).