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

C9H8ClNO3 — CID 15396657

IUPAC1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C(\Cl)[N+](=O)[O-]
InChIInChI=1S/C9H8ClNO3/c1-14-8-5-3-2-4-7(8)6-9(10)11(12)13/h2-6H,1H3/b9-6+
InChIKeyARTOYXQJXZVGKH-RMKNXTFCSA-N
MW213.62 g/mol
LogP2.51
Rot. Bonds3

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

1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene (PubChem CID 15396657) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene
PubChem CID15396657
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C=C(\Cl)[N+](=O)[O-]
InChIInChI=1S/C9H8ClNO3/c1-14-8-5-3-2-4-7(8)6-9(10)11(12)13/h2-6H,1H3/b9-6+
InChIKeyARTOYXQJXZVGKH-RMKNXTFCSA-N
XLogP2.51
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 52.51
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

4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene
CID 10658158
(Z)-4-(2-methoxyphenyl)-3-nitrobut-3-en-2-one
CID 75539548
(2E,3E)-2,3-bis[(2-methoxyphenyl)methylidene]butanedial
CID 87977206
1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene
CID 154718283
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
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1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
CID 131589016
[2-(2-methoxyphenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 102296582
1-methoxy-2-nitro-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 101110358
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 10867868
1-[(1E,3E)-2,3-diisocyano-4-(2-methoxyphenyl)buta-1,3-dienyl]-2-methoxybenzene
CID 86626449
(E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
CID 6993290
potassium (E)-2-cyano-3-(2-methoxyphenyl)prop-2-enoate
CID 19205389

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene?
The IUPAC name of 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene (CID 15396657) is 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene is COc1ccccc1/C=C(\Cl)[N+](=O)[O-].
What is the InChIKey of 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene?
The InChIKey is ARTOYXQJXZVGKH-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-14-8-5-3-2-4-7(8)6-9(10)11(12)13/h2-6H,1H3/b9-6+.
What are the key properties of 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene?
1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene has a molecular weight of 213.62 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-2-nitroethenyl]-2-methoxybenzene is sourced from PubChem (CID 15396657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).