CID 173351334

C2H5BCl — CID 173351334

IUPAC—
SMILESCl.[B]=CC
InChIInChI=1S/C2H4B.ClH/c1-2-3;/h2H,1H3;1H
InChIKeyFHBWIWBHDLFTDD-UHFFFAOYSA-N
MW75.33 g/mol
LogP0.40
Rot. Bonds

About CID 173351334

CID 173351334 (PubChem CID 173351334) has the molecular formula C2H5BCl and a molecular weight of 75.33 g/mol.

Molecular Properties

Compound NameCID 173351334
PubChem CID173351334
Molecular FormulaC2H5BCl
Molecular Weight75.33 g/mol
Exact Mass75.02
IUPAC Name—
SMILESCl.[B]=CC
InChIInChI=1S/C2H4B.ClH/c1-2-3;/h2H,1H3;1H
InChIKeyFHBWIWBHDLFTDD-UHFFFAOYSA-N
XLogP0.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.33
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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prop-1-ene
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ethanetellural
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bis(but-2-ene);hydrate
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acetaldehyde
CID 158130567

Frequently Asked Questions

What is the IUPAC name of CID 173351334?
The IUPAC name of CID 173351334 (CID 173351334) is not available.
What is the SMILES notation for CID 173351334?
The canonical SMILES for CID 173351334 is Cl.[B]=CC.
What is the InChIKey of CID 173351334?
The InChIKey is FHBWIWBHDLFTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4B.ClH/c1-2-3;/h2H,1H3;1H.
What are the key properties of CID 173351334?
CID 173351334 has a molecular weight of 75.33 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173351334 is sourced from PubChem (CID 173351334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).