benzene;chloroform;dichloromethane

C8H9Cl5 — CID 158760544

IUPACbenzene;chloroform;dichloromethane
SMILESClC(Cl)Cl.ClCCl.c1ccccc1
InChIInChI=1S/C6H6.CHCl3.CH2Cl2/c1-2-4-6-5-3-1;2-1(3)4;2-1-3/h1-6H;1H;1H2
InChIKeyIOPMNSPZFUJIIG-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.09
Rot. Bonds

About benzene;chloroform;dichloromethane

benzene;chloroform;dichloromethane (PubChem CID 158760544) has the molecular formula C8H9Cl5 and a molecular weight of 282.43 g/mol. Its IUPAC name is benzene;chloroform;dichloromethane.

Molecular Properties

Compound Namebenzene;chloroform;dichloromethane
PubChem CID158760544
Molecular FormulaC8H9Cl5
Molecular Weight282.43 g/mol
Exact Mass279.91
IUPAC Namebenzene;chloroform;dichloromethane
SMILESClC(Cl)Cl.ClCCl.c1ccccc1
InChIInChI=1S/C6H6.CHCl3.CH2Cl2/c1-2-4-6-5-3-1;2-1(3)4;2-1-3/h1-6H;1H;1H2
InChIKeyIOPMNSPZFUJIIG-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;chloroform
CID 22101329
benzene;dichloromethane;2-methylpropan-1-ol
CID 70594153
trichloro(113C)methane
CID 10176135
dichloromethane;dichloromethylsilane
CID 173165759
acetic acid;benzene;chloroform
CID 161093060
azane;benzene;chloroethane
CID 66632016
benzene;1,1,1,2-tetrachloroethane
CID 163643099
2,2-dichloroethanol;(dichloromethane)
CID 173081076
dichloromethane;germane
CID 174557663
CID 87274674
CID 87274674
dichloromethane;proton
CID 174889445
CID 158888570
CID 158888570

Frequently Asked Questions

What is the IUPAC name of benzene;chloroform;dichloromethane?
The IUPAC name of benzene;chloroform;dichloromethane (CID 158760544) is benzene;chloroform;dichloromethane.
What is the SMILES notation for benzene;chloroform;dichloromethane?
The canonical SMILES for benzene;chloroform;dichloromethane is ClC(Cl)Cl.ClCCl.c1ccccc1.
What is the InChIKey of benzene;chloroform;dichloromethane?
The InChIKey is IOPMNSPZFUJIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CHCl3.CH2Cl2/c1-2-4-6-5-3-1;2-1(3)4;2-1-3/h1-6H;1H;1H2.
What are the key properties of benzene;chloroform;dichloromethane?
benzene;chloroform;dichloromethane has a molecular weight of 282.43 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chloroform;dichloromethane is sourced from PubChem (CID 158760544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).