1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene

C15H11Cl2NO2 — CID 53317554

IUPAC1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
SMILESO=[N+]([O-])/C(=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-13-5-1-11(2-6-13)9-15(18(19)20)10-12-3-7-14(17)8-4-12/h1-9H,10H2/b15-9-
InChIKeyABZFZHDSUFIXKA-DHDCSXOGSA-N
MW308.16 g/mol
LogP4.85
Rot. Bonds4

About 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene

1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene (PubChem CID 53317554) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
PubChem CID53317554
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
SMILESO=[N+]([O-])/C(=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-13-5-1-11(2-6-13)9-15(18(19)20)10-12-3-7-14(17)8-4-12/h1-9H,10H2/b15-9-
InChIKeyABZFZHDSUFIXKA-DHDCSXOGSA-N
XLogP4.85
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene (CID 53317554) is 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene is O=[N+]([O-])/C(=C\c1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
The InChIKey is ABZFZHDSUFIXKA-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-13-5-1-11(2-6-13)9-15(18(19)20)10-12-3-7-14(17)8-4-12/h1-9H,10H2/b15-9-.
What are the key properties of 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene?
1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene has a molecular weight of 308.16 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene is sourced from PubChem (CID 53317554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).