4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene

C9H7Cl2NO3 — CID 10658158

IUPAC4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1/C=C(\Cl)[N+](=O)[O-]
InChIInChI=1S/C9H7Cl2NO3/c1-15-8-3-2-7(10)4-6(8)5-9(11)12(13)14/h2-5H,1H3/b9-5+
InChIKeyYBNGAQQGHWLGQI-WEVVVXLNSA-N
MW248.06 g/mol
LogP3.16
Rot. Bonds3

About 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene

4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene (PubChem CID 10658158) has the molecular formula C9H7Cl2NO3 and a molecular weight of 248.06 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene
PubChem CID10658158
Molecular FormulaC9H7Cl2NO3
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Name4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1/C=C(\Cl)[N+](=O)[O-]
InChIInChI=1S/C9H7Cl2NO3/c1-15-8-3-2-7(10)4-6(8)5-9(11)12(13)14/h2-5H,1H3/b9-5+
InChIKeyYBNGAQQGHWLGQI-WEVVVXLNSA-N
XLogP3.16
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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

1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene
CID 15396657
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine
CID 70957057
1,4-dimethoxy-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016919
5-chloro-2-methoxybenzoate
CID 6933314
(S)-N-[(5-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150204962
2-chloro-1-methoxy-4-(2-nitro-2-phenylethenyl)benzene
CID 77052850
(E)-3-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 1248348
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
2-[[(2-aminoacetyl)-methylamino]methyl]-3-(5-chloro-2-methoxyphenyl)prop-2-enoic acid
CID 66935100
3-(5-chloro-2-methoxyphenyl)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]prop-2-enoic acid
CID 91209967
3-(5-chloro-2-methoxyphenyl)-2-cyano-N-phenylprop-2-enamide
CID 3289617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene (CID 10658158) is 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene is COc1ccc(Cl)cc1/C=C(\Cl)[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene?
The InChIKey is YBNGAQQGHWLGQI-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c1-15-8-3-2-7(10)4-6(8)5-9(11)12(13)14/h2-5H,1H3/b9-5+.
What are the key properties of 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene?
4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene has a molecular weight of 248.06 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene is sourced from PubChem (CID 10658158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).