1-(2,2-dichloroethenoxy)-4-nitrobenzene

C8H5Cl2NO3 — CID 172715409

IUPAC1-(2,2-dichloroethenoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC=C(Cl)Cl)cc1
InChIInChI=1S/C8H5Cl2NO3/c9-8(10)5-14-7-3-1-6(2-4-7)11(12)13/h1-5H
InChIKeyFUJPLHUZSHKBCP-UHFFFAOYSA-N
MW234.04 g/mol
LogP3.25
Rot. Bonds3

About 1-(2,2-dichloroethenoxy)-4-nitrobenzene

1-(2,2-dichloroethenoxy)-4-nitrobenzene (PubChem CID 172715409) has the molecular formula C8H5Cl2NO3 and a molecular weight of 234.04 g/mol. Its IUPAC name is 1-(2,2-dichloroethenoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1-(2,2-dichloroethenoxy)-4-nitrobenzene
PubChem CID172715409
Molecular FormulaC8H5Cl2NO3
Molecular Weight234.04 g/mol
Exact Mass232.96
IUPAC Name1-(2,2-dichloroethenoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OC=C(Cl)Cl)cc1
InChIInChI=1S/C8H5Cl2NO3/c9-8(10)5-14-7-3-1-6(2-4-7)11(12)13/h1-5H
InChIKeyFUJPLHUZSHKBCP-UHFFFAOYSA-N
XLogP3.25
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;(4-nitrophenyl) formate
CID 143083318
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
CID 153008841
CID 153008841
trihydroxy-(4-nitrophenoxy)phosphanium
CID 70832943
1-(chloroamino)oxy-4-nitrobenzene
CID 143366644
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
sodium (4-nitrophenyl) carbonate
CID 172808838
bis(4-nitrophenyl) cubane-1,4-dicarboxylate
CID 10670458
(4-nitrophenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832238
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloroethenoxy)-4-nitrobenzene?
The IUPAC name of 1-(2,2-dichloroethenoxy)-4-nitrobenzene (CID 172715409) is 1-(2,2-dichloroethenoxy)-4-nitrobenzene.
What is the SMILES notation for 1-(2,2-dichloroethenoxy)-4-nitrobenzene?
The canonical SMILES for 1-(2,2-dichloroethenoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(OC=C(Cl)Cl)cc1.
What is the InChIKey of 1-(2,2-dichloroethenoxy)-4-nitrobenzene?
The InChIKey is FUJPLHUZSHKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO3/c9-8(10)5-14-7-3-1-6(2-4-7)11(12)13/h1-5H.
What are the key properties of 1-(2,2-dichloroethenoxy)-4-nitrobenzene?
1-(2,2-dichloroethenoxy)-4-nitrobenzene has a molecular weight of 234.04 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloroethenoxy)-4-nitrobenzene is sourced from PubChem (CID 172715409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).