2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid

C14H7Cl2NO2 — CID 53227197

IUPAC2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid
SMILESN#Cc1cc(-c2cccc(Cl)c2C(=O)O)ccc1Cl
InChIInChI=1S/C14H7Cl2NO2/c15-11-5-4-8(6-9(11)7-17)10-2-1-3-12(16)13(10)14(18)19/h1-6H,(H,18,19)
InChIKeyDVUSHOOUWCWJOJ-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.23
Rot. Bonds2

About 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid

2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid (PubChem CID 53227197) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid
PubChem CID53227197
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid
SMILESN#Cc1cc(-c2cccc(Cl)c2C(=O)O)ccc1Cl
InChIInChI=1S/C14H7Cl2NO2/c15-11-5-4-8(6-9(11)7-17)10-2-1-3-12(16)13(10)14(18)19/h1-6H,(H,18,19)
InChIKeyDVUSHOOUWCWJOJ-UHFFFAOYSA-N
XLogP4.23
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid?
The IUPAC name of 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid (CID 53227197) is 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid.
What is the SMILES notation for 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid?
The canonical SMILES for 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid is N#Cc1cc(-c2cccc(Cl)c2C(=O)O)ccc1Cl.
What is the InChIKey of 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid?
The InChIKey is DVUSHOOUWCWJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-11-5-4-8(6-9(11)7-17)10-2-1-3-12(16)13(10)14(18)19/h1-6H,(H,18,19).
What are the key properties of 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid?
2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid has a molecular weight of 292.12 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-chloro-3-cyanophenyl)benzoic acid is sourced from PubChem (CID 53227197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).