[chloro-(4-nitrophenyl)methylidene]phosphane

C7H5ClNO2P — CID 142232880

IUPAC[chloro-(4-nitrophenyl)methylidene]phosphane
SMILES[H]/P=C(\Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5ClNO2P/c8-7(12)5-1-3-6(4-2-5)9(10)11/h1-4,12H
InChIKeySCWMWVPMFSCHNW-UHFFFAOYSA-N
MW201.55 g/mol
LogP2.45
Rot. Bonds2

About [chloro-(4-nitrophenyl)methylidene]phosphane

[chloro-(4-nitrophenyl)methylidene]phosphane (PubChem CID 142232880) has the molecular formula C7H5ClNO2P and a molecular weight of 201.55 g/mol. Its IUPAC name is [chloro-(4-nitrophenyl)methylidene]phosphane.

Molecular Properties

Compound Name[chloro-(4-nitrophenyl)methylidene]phosphane
PubChem CID142232880
Molecular FormulaC7H5ClNO2P
Molecular Weight201.55 g/mol
Exact Mass200.97
IUPAC Name[chloro-(4-nitrophenyl)methylidene]phosphane
SMILES[H]/P=C(\Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5ClNO2P/c8-7(12)5-1-3-6(4-2-5)9(10)11/h1-4,12H
InChIKeySCWMWVPMFSCHNW-UHFFFAOYSA-N
XLogP2.45
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.55
LogP ≤ 52.45
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-(1,2,2-triiodoethenyl)benzene
CID 3671977
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
CID 10387830
4-nitrobenzoate;vanadium
CID 172712620
2,2,2-trichloro-1-(4-nitrophenyl)ethanone
CID 13050118
2,2-dichloro-1-(4-nitrophenyl)ethanone
CID 11148999
2,4-dinitroaniline;4-nitrobenzoyl chloride
CID 161258688
1-(4-nitrophenyl)ethenethiol
CID 175251308
1-(1-fluoroethenyl)-4-nitrobenzene
CID 11205987
potassium;hydride;4-nitrobenzenecarbothioic S-acid
CID 173400716
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
cesium;hydride;4-nitrobenzoic acid
CID 174438488
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216

Frequently Asked Questions

What is the IUPAC name of [chloro-(4-nitrophenyl)methylidene]phosphane?
The IUPAC name of [chloro-(4-nitrophenyl)methylidene]phosphane (CID 142232880) is [chloro-(4-nitrophenyl)methylidene]phosphane.
What is the SMILES notation for [chloro-(4-nitrophenyl)methylidene]phosphane?
The canonical SMILES for [chloro-(4-nitrophenyl)methylidene]phosphane is [H]/P=C(\Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [chloro-(4-nitrophenyl)methylidene]phosphane?
The InChIKey is SCWMWVPMFSCHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClNO2P/c8-7(12)5-1-3-6(4-2-5)9(10)11/h1-4,12H.
What are the key properties of [chloro-(4-nitrophenyl)methylidene]phosphane?
[chloro-(4-nitrophenyl)methylidene]phosphane has a molecular weight of 201.55 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-nitrophenyl)methylidene]phosphane is sourced from PubChem (CID 142232880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).