trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium

C9H9Cl4N3O3P+ — CID 56982518

IUPACtrichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium
SMILESO=C(CC(Cl)c1ccc([N+](=O)[O-])cc1)NN[P+](Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl4N3O3P/c10-8(5-9(17)14-15-20(11,12)13)6-1-3-7(4-2-6)16(18)19/h1-4,8,15H,5H2/p+1
InChIKeyNPCSDJHABAVGIP-UHFFFAOYSA-O
MW379.98 g/mol
LogP4.28
Rot. Bonds6

About trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium

trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium (PubChem CID 56982518) has the molecular formula C9H9Cl4N3O3P+ and a molecular weight of 379.98 g/mol. Its IUPAC name is trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium.

Molecular Properties

Compound Nametrichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium
PubChem CID56982518
Molecular FormulaC9H9Cl4N3O3P+
Molecular Weight379.98 g/mol
Exact Mass377.91
IUPAC Nametrichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium
SMILESO=C(CC(Cl)c1ccc([N+](=O)[O-])cc1)NN[P+](Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl4N3O3P/c10-8(5-9(17)14-15-20(11,12)13)6-1-3-7(4-2-6)16(18)19/h1-4,8,15H,5H2/p+1
InChIKeyNPCSDJHABAVGIP-UHFFFAOYSA-O
XLogP4.28
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-chloro-2-[2-chloro-2-(4-nitrophenyl)ethoxy]ethyl]-4-nitrobenzene
CID 121005161
1-(1-chloro-3-methoxypropyl)-4-nitrobenzene
CID 23269240
1-chloro-1-(4-nitrophenyl)propan-2-one
CID 13381943
dimethyl 2-(4-nitrophenyl)propanedioate
CID 2764303
2-(4-nitrophenyl)butanedioate
CID 4632512
methyl (3S)-3-amino-3-(4-nitrophenyl)propanoate;hydrochloride
CID 170900233
aminophosphonic acid;1-(1,3-dichloropropyl)-4-nitrobenzene
CID 67945283
methyl 2-(4-nitrophenyl)-3-oxobutanoate
CID 70847712
2,2-dichloro-N-[1-chloro-3-hydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 159241506
1-[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-4-nitrobenzene
CID 63518674
5-chloro-5-(4-nitrophenyl)pentanal
CID 87958731
trichloro-[[1,3-dichloro-3-(4-nitrophenyl)propyl]diazenyl]phosphanium
CID 173376937

Frequently Asked Questions

What is the IUPAC name of trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium?
The IUPAC name of trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium (CID 56982518) is trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium.
What is the SMILES notation for trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium?
The canonical SMILES for trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium is O=C(CC(Cl)c1ccc([N+](=O)[O-])cc1)NN[P+](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium?
The InChIKey is NPCSDJHABAVGIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8Cl4N3O3P/c10-8(5-9(17)14-15-20(11,12)13)6-1-3-7(4-2-6)16(18)19/h1-4,8,15H,5H2/p+1.
What are the key properties of trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium?
trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium has a molecular weight of 379.98 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[2-[3-chloro-3-(4-nitrophenyl)propanoyl]hydrazinyl]phosphanium is sourced from PubChem (CID 56982518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).