2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene

C9H7Cl2NO2 — CID 2063266

IUPAC2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C\c1ccc(Cl)cc1Cl)[N+](=O)[O-]
InChIInChI=1S/C9H7Cl2NO2/c1-6(12(13)14)4-7-2-3-8(10)5-9(7)11/h2-5H,1H3/b6-4+
InChIKeyZAQYCITZNLAPDI-GQCTYLIASA-N
MW232.07 g/mol
LogP3.63
Rot. Bonds2

About 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene

2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene (PubChem CID 2063266) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene
PubChem CID2063266
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C\c1ccc(Cl)cc1Cl)[N+](=O)[O-]
InChIInChI=1S/C9H7Cl2NO2/c1-6(12(13)14)4-7-2-3-8(10)5-9(7)11/h2-5H,1H3/b6-4+
InChIKeyZAQYCITZNLAPDI-GQCTYLIASA-N
XLogP3.63
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 53.63
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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Related Compounds

1,3-Dichloro-2-[(1E)-2-nitroethenyl]benzene
CID 5369223
4-Chloro B-nitrostyrene
CID 5354182
1-Chloro-4-(2-nitropropenyl)-benzene
CID 708815
2,4-Dichloro-1-(2-nitrovinyl)benzene
CID 690125
(E)-1-Chloro-2-(2-nitrovinyl)benzene
CID 5369313
1-Chloro-4-(2-nitro-1-propen-1-yl)benzene
CID 120341
1,3-Dichloro-5-(2-nitroethenyl)benzene
CID 13538186
1-chloro-4-[(Z)-2-chloro-2-nitroethenyl]benzene
CID 14971162
1-chloro-3-[(Z)-2-chloro-2-nitroethenyl]benzene
CID 15933256
1-(2-Chlorophenyl)-2-nitropropene
CID 5841110
1-chloro-4-[(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl]benzene
CID 53317554
1-(4-Chlorophenyl)-2-nitropropene
CID 1809354

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene (CID 2063266) is 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene is C/C(=C\c1ccc(Cl)cc1Cl)[N+](=O)[O-].
What is the InChIKey of 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene?
The InChIKey is ZAQYCITZNLAPDI-GQCTYLIASA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c1-6(12(13)14)4-7-2-3-8(10)5-9(7)11/h2-5H,1H3/b6-4+.
What are the key properties of 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene?
2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene has a molecular weight of 232.07 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(E)-2-nitroprop-1-enyl]benzene is sourced from PubChem (CID 2063266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).