chlorobenzene

C6H5Cl — CID 7964

IUPACchlorobenzene
SMILESClc1ccccc1
InChIInChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyMVPPADPHJFYWMZ-UHFFFAOYSA-N
MW112.56 g/mol
LogP2.34
Rot. Bonds

About chlorobenzene

chlorobenzene (PubChem CID 7964) has the molecular formula C6H5Cl and a molecular weight of 112.56 g/mol. Its IUPAC name is chlorobenzene.

Molecular Properties

Compound Namechlorobenzene
PubChem CID7964
Molecular FormulaC6H5Cl
Molecular Weight112.56 g/mol
Exact Mass112.01
IUPAC Namechlorobenzene
SMILESClc1ccccc1
InChIInChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyMVPPADPHJFYWMZ-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.56
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-Dichlorobenzene
CID 4685
1,2-Dichlorobenzene
CID 7239
1,3,5-Trichlorobenzene
CID 7950
1,2,3-Trichlorobenzene
CID 6895
1,3-Dichlorobenzene
CID 10943
4-Chlorophenylboronic acid
CID 74299
p-Chlorothiophenol
CID 7815
o-Chlorothiophenol
CID 80599
1-Chloro-2-fluorobenzene
CID 9583
1,2-Dichlorobenzene-D4
CID 519913
(3-Chlorophenyl)boronic acid
CID 2734323
3-Chlorothiophenol
CID 16257

Frequently Asked Questions

What is the IUPAC name of chlorobenzene?
The IUPAC name of chlorobenzene (CID 7964) is chlorobenzene.
What is the SMILES notation for chlorobenzene?
The canonical SMILES for chlorobenzene is Clc1ccccc1.
What is the InChIKey of chlorobenzene?
The InChIKey is MVPPADPHJFYWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of chlorobenzene?
chlorobenzene has a molecular weight of 112.56 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene is sourced from PubChem (CID 7964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).