2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile

C14H8Cl2N2O3 — CID 102724066

IUPAC2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H8Cl2N2O3/c15-11-2-4-14(18(19)20)10(5-11)8-21-12-3-1-9(7-17)13(16)6-12/h1-6H,8H2
InChIKeyWZVSVCQDYDKWMZ-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile

2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile (PubChem CID 102724066) has the molecular formula C14H8Cl2N2O3 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile
PubChem CID102724066
Molecular FormulaC14H8Cl2N2O3
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H8Cl2N2O3/c15-11-2-4-14(18(19)20)10(5-11)8-21-12-3-1-9(7-17)13(16)6-12/h1-6H,8H2
InChIKeyWZVSVCQDYDKWMZ-UHFFFAOYSA-N
XLogP4.35
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
2-[(3-chloro-4-nitrophenoxy)methyl]benzonitrile
CID 47443114
3-[(5-chloro-2-nitrophenyl)methoxy]phenol
CID 79579722
[4-[(5-chloro-2-nitrophenyl)methoxy]phenyl]methanol
CID 79214399
3-[(5-chloro-2-nitrophenyl)methoxy]aniline
CID 79579913
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
CID 63093764
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
4-chloro-2-[(2-chloro-4-nitrophenyl)methoxy]benzonitrile
CID 114322789
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile (CID 102724066) is 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile?
The InChIKey is WZVSVCQDYDKWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O3/c15-11-2-4-14(18(19)20)10(5-11)8-21-12-3-1-9(7-17)13(16)6-12/h1-6H,8H2.
What are the key properties of 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile?
2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile has a molecular weight of 323.14 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile is sourced from PubChem (CID 102724066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).