benzyl(bromo)phosphane;bromophosphane

C7H12Br3P3 — CID 139821861

IUPACbenzyl(bromo)phosphane;bromophosphane
SMILESBrPCc1ccccc1.PBr.PBr
InChIInChI=1S/C7H8BrP.2BrH2P/c8-9-6-7-4-2-1-3-5-7;2*1-2/h1-5,9H,6H2;2*2H2
InChIKeyMCTQOPJXBCQNQO-UHFFFAOYSA-N
MW428.81 g/mol
LogP5.52
Rot. Bonds2

About benzyl(bromo)phosphane;bromophosphane

benzyl(bromo)phosphane;bromophosphane (PubChem CID 139821861) has the molecular formula C7H12Br3P3 and a molecular weight of 428.81 g/mol. Its IUPAC name is benzyl(bromo)phosphane;bromophosphane.

Molecular Properties

Compound Namebenzyl(bromo)phosphane;bromophosphane
PubChem CID139821861
Molecular FormulaC7H12Br3P3
Molecular Weight428.81 g/mol
Exact Mass425.77
IUPAC Namebenzyl(bromo)phosphane;bromophosphane
SMILESBrPCc1ccccc1.PBr.PBr
InChIInChI=1S/C7H8BrP.2BrH2P/c8-9-6-7-4-2-1-3-5-7;2*1-2/h1-5,9H,6H2;2*2H2
InChIKeyMCTQOPJXBCQNQO-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.81
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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benzyl(trifluoromethyl)phosphane
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N-benzylphosphanylmethanamine
CID 5035277
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CID 4542716
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CID 59702451
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benzyl(propyl)phosphane
CID 69425003
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569

Frequently Asked Questions

What is the IUPAC name of benzyl(bromo)phosphane;bromophosphane?
The IUPAC name of benzyl(bromo)phosphane;bromophosphane (CID 139821861) is benzyl(bromo)phosphane;bromophosphane.
What is the SMILES notation for benzyl(bromo)phosphane;bromophosphane?
The canonical SMILES for benzyl(bromo)phosphane;bromophosphane is BrPCc1ccccc1.PBr.PBr.
What is the InChIKey of benzyl(bromo)phosphane;bromophosphane?
The InChIKey is MCTQOPJXBCQNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrP.2BrH2P/c8-9-6-7-4-2-1-3-5-7;2*1-2/h1-5,9H,6H2;2*2H2.
What are the key properties of benzyl(bromo)phosphane;bromophosphane?
benzyl(bromo)phosphane;bromophosphane has a molecular weight of 428.81 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(bromo)phosphane;bromophosphane is sourced from PubChem (CID 139821861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).