sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride

C14H14Cl2NaP — CID 175519373

IUPACsodium;bis[4-(chloromethyl)phenyl]phosphane;hydride
SMILESClCc1ccc(Pc2ccc(CCl)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C14H13Cl2P.Na.H/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14;;/h1-8,17H,9-10H2;;/q;+1;-1
InChIKeyQVFYRGOEGIVQGE-UHFFFAOYSA-N
MW307.14 g/mol
LogP0.91
Rot. Bonds4

About sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride

sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride (PubChem CID 175519373) has the molecular formula C14H14Cl2NaP and a molecular weight of 307.14 g/mol. Its IUPAC name is sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride.

Molecular Properties

Compound Namesodium;bis[4-(chloromethyl)phenyl]phosphane;hydride
PubChem CID175519373
Molecular FormulaC14H14Cl2NaP
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Namesodium;bis[4-(chloromethyl)phenyl]phosphane;hydride
SMILESClCc1ccc(Pc2ccc(CCl)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C14H13Cl2P.Na.H/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14;;/h1-8,17H,9-10H2;;/q;+1;-1
InChIKeyQVFYRGOEGIVQGE-UHFFFAOYSA-N
XLogP0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride?
The IUPAC name of sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride (CID 175519373) is sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride.
What is the SMILES notation for sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride?
The canonical SMILES for sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride is ClCc1ccc(Pc2ccc(CCl)cc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride?
The InChIKey is QVFYRGOEGIVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2P.Na.H/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14;;/h1-8,17H,9-10H2;;/q;+1;-1.
What are the key properties of sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride?
sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride has a molecular weight of 307.14 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis[4-(chloromethyl)phenyl]phosphane;hydride is sourced from PubChem (CID 175519373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).