1-bromo-3-chlorobenzene;chlorobenzene

C12H9BrCl2 — CID 70518060

IUPAC1-bromo-3-chlorobenzene;chlorobenzene
SMILESClc1cccc(Br)c1.Clc1ccccc1
InChIInChI=1S/C6H4BrCl.C6H5Cl/c7-5-2-1-3-6(8)4-5;7-6-4-2-1-3-5-6/h1-4H;1-5H
InChIKeyYMMCMKLECVBGBS-UHFFFAOYSA-N
MW304.01 g/mol
LogP5.44
Rot. Bonds

About 1-bromo-3-chlorobenzene;chlorobenzene

1-bromo-3-chlorobenzene;chlorobenzene (PubChem CID 70518060) has the molecular formula C12H9BrCl2 and a molecular weight of 304.01 g/mol. Its IUPAC name is 1-bromo-3-chlorobenzene;chlorobenzene.

Molecular Properties

Compound Name1-bromo-3-chlorobenzene;chlorobenzene
PubChem CID70518060
Molecular FormulaC12H9BrCl2
Molecular Weight304.01 g/mol
Exact Mass301.93
IUPAC Name1-bromo-3-chlorobenzene;chlorobenzene
SMILESClc1cccc(Br)c1.Clc1ccccc1
InChIInChI=1S/C6H4BrCl.C6H5Cl/c7-5-2-1-3-6(8)4-5;7-6-4-2-1-3-5-6/h1-4H;1-5H
InChIKeyYMMCMKLECVBGBS-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.01
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chlorobenzene;chlorobenzene?
The IUPAC name of 1-bromo-3-chlorobenzene;chlorobenzene (CID 70518060) is 1-bromo-3-chlorobenzene;chlorobenzene.
What is the SMILES notation for 1-bromo-3-chlorobenzene;chlorobenzene?
The canonical SMILES for 1-bromo-3-chlorobenzene;chlorobenzene is Clc1cccc(Br)c1.Clc1ccccc1.
What is the InChIKey of 1-bromo-3-chlorobenzene;chlorobenzene?
The InChIKey is YMMCMKLECVBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl.C6H5Cl/c7-5-2-1-3-6(8)4-5;7-6-4-2-1-3-5-6/h1-4H;1-5H.
What are the key properties of 1-bromo-3-chlorobenzene;chlorobenzene?
1-bromo-3-chlorobenzene;chlorobenzene has a molecular weight of 304.01 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chlorobenzene;chlorobenzene is sourced from PubChem (CID 70518060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).