2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile

C11H8ClNO3 — CID 114322512

IUPAC2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OC1CCOC1=O
InChIInChI=1S/C11H8ClNO3/c12-8-2-1-3-9(7(8)6-13)16-10-4-5-15-11(10)14/h1-3,10H,4-5H2
InChIKeyNAXCFAKMOJTXTH-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.91
Rot. Bonds2

About 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile

2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile (PubChem CID 114322512) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile
PubChem CID114322512
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile
SMILESN#Cc1c(Cl)cccc1OC1CCOC1=O
InChIInChI=1S/C11H8ClNO3/c12-8-2-1-3-9(7(8)6-13)16-10-4-5-15-11(10)14/h1-3,10H,4-5H2
InChIKeyNAXCFAKMOJTXTH-UHFFFAOYSA-N
XLogP1.91
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile?
The IUPAC name of 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile (CID 114322512) is 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile.
What is the SMILES notation for 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile?
The canonical SMILES for 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile is N#Cc1c(Cl)cccc1OC1CCOC1=O.
What is the InChIKey of 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile?
The InChIKey is NAXCFAKMOJTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-8-2-1-3-9(7(8)6-13)16-10-4-5-15-11(10)14/h1-3,10H,4-5H2.
What are the key properties of 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile?
2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile has a molecular weight of 237.64 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile is sourced from PubChem (CID 114322512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).