1,4-dichlorobenzene;formonitrile

C7H5Cl2N — CID 174444870

IUPAC1,4-dichlorobenzene;formonitrile
SMILESC#N.Clc1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl2.CHN/c7-5-1-2-6(8)4-3-5;1-2/h1-4H;1H
InChIKeyOVMJMZSUUDHJSC-UHFFFAOYSA-N
MW174.03 g/mol
LogP3.13
Rot. Bonds

About 1,4-dichlorobenzene;formonitrile

1,4-dichlorobenzene;formonitrile (PubChem CID 174444870) has the molecular formula C7H5Cl2N and a molecular weight of 174.03 g/mol. Its IUPAC name is 1,4-dichlorobenzene;formonitrile.

Molecular Properties

Compound Name1,4-dichlorobenzene;formonitrile
PubChem CID174444870
Molecular FormulaC7H5Cl2N
Molecular Weight174.03 g/mol
Exact Mass172.98
IUPAC Name1,4-dichlorobenzene;formonitrile
SMILESC#N.Clc1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl2.CHN/c7-5-1-2-6(8)4-3-5;1-2/h1-4H;1H
InChIKeyOVMJMZSUUDHJSC-UHFFFAOYSA-N
XLogP3.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.03
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichlorobenzene;formonitrile?
The IUPAC name of 1,4-dichlorobenzene;formonitrile (CID 174444870) is 1,4-dichlorobenzene;formonitrile.
What is the SMILES notation for 1,4-dichlorobenzene;formonitrile?
The canonical SMILES for 1,4-dichlorobenzene;formonitrile is C#N.Clc1ccc(Cl)cc1.
What is the InChIKey of 1,4-dichlorobenzene;formonitrile?
The InChIKey is OVMJMZSUUDHJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.CHN/c7-5-1-2-6(8)4-3-5;1-2/h1-4H;1H.
What are the key properties of 1,4-dichlorobenzene;formonitrile?
1,4-dichlorobenzene;formonitrile has a molecular weight of 174.03 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichlorobenzene;formonitrile is sourced from PubChem (CID 174444870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).