CID 90725364

C2H5BCl2OP+ — CID 90725364

IUPAC—
SMILESClCCl.[B][P+](C)=O
InChIInChI=1S/CH3BOP.CH2Cl2/c1-4(2)3;2-1-3/h1H3;1H2/q+1;
InChIKeyAXZRYWNNIFZYMP-UHFFFAOYSA-N
MW157.75 g/mol
LogP1.95
Rot. Bonds

About CID 90725364

CID 90725364 (PubChem CID 90725364) has the molecular formula C2H5BCl2OP+ and a molecular weight of 157.75 g/mol.

Molecular Properties

Compound NameCID 90725364
PubChem CID90725364
Molecular FormulaC2H5BCl2OP+
Molecular Weight157.75 g/mol
Exact Mass156.95
IUPAC Name—
SMILESClCCl.[B][P+](C)=O
InChIInChI=1S/CH3BOP.CH2Cl2/c1-4(2)3;2-1-3/h1H3;1H2/q+1;
InChIKeyAXZRYWNNIFZYMP-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.75
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 159631897
CID 91016120
CID 91016120
chloro-ethyl-oxophosphanium
CID 12513101
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CID 87274674
dichloromethane;germane
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Frequently Asked Questions

What is the IUPAC name of CID 90725364?
The IUPAC name of CID 90725364 (CID 90725364) is not available.
What is the SMILES notation for CID 90725364?
The canonical SMILES for CID 90725364 is ClCCl.[B][P+](C)=O.
What is the InChIKey of CID 90725364?
The InChIKey is AXZRYWNNIFZYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BOP.CH2Cl2/c1-4(2)3;2-1-3/h1H3;1H2/q+1;.
What are the key properties of CID 90725364?
CID 90725364 has a molecular weight of 157.75 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90725364 is sourced from PubChem (CID 90725364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).