benzene;chloroform;ethyl acetate;tetrachloromethane

C12H15Cl7O2 — CID 161411340

IUPACbenzene;chloroform;ethyl acetate;tetrachloromethane
SMILESCCOC(C)=O.ClC(Cl)(Cl)Cl.ClC(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.C4H8O2.CCl4.CHCl3/c1-2-4-6-5-3-1;1-3-6-4(2)5;2-1(3,4)5;2-1(3)4/h1-6H;3H2,1-2H3;;1H
InChIKeyVVMWCDSEWOIRHD-UHFFFAOYSA-N
MW439.42 g/mol
LogP6.80
Rot. Bonds1

About benzene;chloroform;ethyl acetate;tetrachloromethane

benzene;chloroform;ethyl acetate;tetrachloromethane (PubChem CID 161411340) has the molecular formula C12H15Cl7O2 and a molecular weight of 439.42 g/mol. Its IUPAC name is benzene;chloroform;ethyl acetate;tetrachloromethane.

Molecular Properties

Compound Namebenzene;chloroform;ethyl acetate;tetrachloromethane
PubChem CID161411340
Molecular FormulaC12H15Cl7O2
Molecular Weight439.42 g/mol
Exact Mass435.89
IUPAC Namebenzene;chloroform;ethyl acetate;tetrachloromethane
SMILESCCOC(C)=O.ClC(Cl)(Cl)Cl.ClC(Cl)Cl.c1ccccc1
InChIInChI=1S/C6H6.C4H8O2.CCl4.CHCl3/c1-2-4-6-5-3-1;1-3-6-4(2)5;2-1(3,4)5;2-1(3)4/h1-6H;3H2,1-2H3;;1H
InChIKeyVVMWCDSEWOIRHD-UHFFFAOYSA-N
XLogP6.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.42
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;chloroform;ethyl acetate;tetrachloromethane?
The IUPAC name of benzene;chloroform;ethyl acetate;tetrachloromethane (CID 161411340) is benzene;chloroform;ethyl acetate;tetrachloromethane.
What is the SMILES notation for benzene;chloroform;ethyl acetate;tetrachloromethane?
The canonical SMILES for benzene;chloroform;ethyl acetate;tetrachloromethane is CCOC(C)=O.ClC(Cl)(Cl)Cl.ClC(Cl)Cl.c1ccccc1.
What is the InChIKey of benzene;chloroform;ethyl acetate;tetrachloromethane?
The InChIKey is VVMWCDSEWOIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H8O2.CCl4.CHCl3/c1-2-4-6-5-3-1;1-3-6-4(2)5;2-1(3,4)5;2-1(3)4/h1-6H;3H2,1-2H3;;1H.
What are the key properties of benzene;chloroform;ethyl acetate;tetrachloromethane?
benzene;chloroform;ethyl acetate;tetrachloromethane has a molecular weight of 439.42 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chloroform;ethyl acetate;tetrachloromethane is sourced from PubChem (CID 161411340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).