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

C9H8ClNO2 — CID 708815

IUPAC1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C/c1ccc(Cl)cc1)[N+](=O)[O-]
InChIInChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6-
InChIKeyABSQKQKOEFDZTI-SREVYHEPSA-N
MW197.62 g/mol
LogP2.98
Rot. Bonds2

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

1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene (PubChem CID 708815) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene
PubChem CID708815
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESC/C(=C/c1ccc(Cl)cc1)[N+](=O)[O-]
InChIInChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6-
InChIKeyABSQKQKOEFDZTI-SREVYHEPSA-N
XLogP2.98
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.98
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)-2-nitroprop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene (CID 708815) is 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene is C/C(=C/c1ccc(Cl)cc1)[N+](=O)[O-].
What is the InChIKey of 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene?
The InChIKey is ABSQKQKOEFDZTI-SREVYHEPSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6-.
What are the key properties of 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene?
1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene has a molecular weight of 197.62 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-2-nitroprop-1-enyl]benzene is sourced from PubChem (CID 708815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).