(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine

C8H6Cl2N2O3 — CID 10610605

IUPAC(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C(=N/O)C(Cl)Cl)cc1
InChIInChI=1S/C8H6Cl2N2O3/c9-8(10)7(11-13)5-1-3-6(4-2-5)12(14)15/h1-4,8,13H/b11-7-
InChIKeyZQXLUQXTZJEXKM-XFFZJAGNSA-N
MW249.05 g/mol
LogP2.58
Rot. Bonds3

About (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine (PubChem CID 10610605) has the molecular formula C8H6Cl2N2O3 and a molecular weight of 249.05 g/mol. Its IUPAC name is (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine
PubChem CID10610605
Molecular FormulaC8H6Cl2N2O3
Molecular Weight249.05 g/mol
Exact Mass247.98
IUPAC Name(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(/C(=N/O)C(Cl)Cl)cc1
InChIInChI=1S/C8H6Cl2N2O3/c9-8(10)7(11-13)5-1-3-6(4-2-5)12(14)15/h1-4,8,13H/b11-7-
InChIKeyZQXLUQXTZJEXKM-XFFZJAGNSA-N
XLogP2.58
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-(4-nitrophenyl)ethanone
CID 11148999
1,4-dinitrobenzene;nitrous acid
CID 174371180
(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine
CID 135501929
(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine;phosphane
CID 172951383
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
CID 10387830
4-(4-nitrobenzoyl)benzoate
CID 6943506
2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one
CID 142723020
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
4-nitrobenzoate;vanadium
CID 172712620
1-nitro-4-(1,2,2-triiodoethenyl)benzene
CID 3671977
2,2,2-trichloro-1-(4-nitrophenyl)ethanone
CID 13050118
(4-nitrophenyl)-(4-sulfanylphenyl)methanone
CID 14374022

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine (CID 10610605) is (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine is O=[N+]([O-])c1ccc(/C(=N/O)C(Cl)Cl)cc1.
What is the InChIKey of (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine?
The InChIKey is ZQXLUQXTZJEXKM-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H6Cl2N2O3/c9-8(10)7(11-13)5-1-3-6(4-2-5)12(14)15/h1-4,8,13H/b11-7-.
What are the key properties of (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine has a molecular weight of 249.05 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2-dichloro-1-(4-nitrophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 10610605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).