benzene;chlorobenzene

C18H17Cl — CID 159657667

IUPACbenzene;chlorobenzene
SMILESClc1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C6H5Cl.2C6H6/c7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1/h1-5H;2*1-6H
InChIKeyMSJOXMOWSWQSHY-UHFFFAOYSA-N
MW268.79 g/mol
LogP5.71
Rot. Bonds

About benzene;chlorobenzene

benzene;chlorobenzene (PubChem CID 159657667) has the molecular formula C18H17Cl and a molecular weight of 268.79 g/mol. Its IUPAC name is benzene;chlorobenzene.

Molecular Properties

Compound Namebenzene;chlorobenzene
PubChem CID159657667
Molecular FormulaC18H17Cl
Molecular Weight268.79 g/mol
Exact Mass268.10
IUPAC Namebenzene;chlorobenzene
SMILESClc1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C6H5Cl.2C6H6/c7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1/h1-5H;2*1-6H
InChIKeyMSJOXMOWSWQSHY-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.79
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
magnesium;chlorobenzene;chloride
CID 22400294
chlorobenzene;titanium(4+);tetrachloride
CID 173055118
potassium;chlorobenzene;hydride
CID 173115077
chlorobenzene;hydrazine
CID 69403092
sodium;chlorobenzene;hydride
CID 173115235
chlorobenzene;methanol
CID 20549646
chlorobenzene;1,2-dichlorobenzene
CID 22250607
benzenethiol;chlorobenzene
CID 158473676
chlorobenzene;fluorobenzene
CID 19024180

Frequently Asked Questions

What is the IUPAC name of benzene;chlorobenzene?
The IUPAC name of benzene;chlorobenzene (CID 159657667) is benzene;chlorobenzene.
What is the SMILES notation for benzene;chlorobenzene?
The canonical SMILES for benzene;chlorobenzene is Clc1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;chlorobenzene?
The InChIKey is MSJOXMOWSWQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.2C6H6/c7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1/h1-5H;2*1-6H.
What are the key properties of benzene;chlorobenzene?
benzene;chlorobenzene has a molecular weight of 268.79 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chlorobenzene is sourced from PubChem (CID 159657667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).