CID 57470384

C8H8Br — CID 57470384

IUPAC—
SMILES[CH2]c1ccc(CBr)cc1
InChIInChI=1S/C8H8Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,1,6H2
InChIKeyDWNCNTOFSGEECE-UHFFFAOYSA-N
MW184.06 g/mol
LogP2.76
Rot. Bonds1

About CID 57470384

CID 57470384 (PubChem CID 57470384) has the molecular formula C8H8Br and a molecular weight of 184.06 g/mol.

Molecular Properties

Compound NameCID 57470384
PubChem CID57470384
Molecular FormulaC8H8Br
Molecular Weight184.06 g/mol
Exact Mass182.98
IUPAC Name—
SMILES[CH2]c1ccc(CBr)cc1
InChIInChI=1S/C8H8Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,1,6H2
InChIKeyDWNCNTOFSGEECE-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.06
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 57470384?
The IUPAC name of CID 57470384 (CID 57470384) is not available.
What is the SMILES notation for CID 57470384?
The canonical SMILES for CID 57470384 is [CH2]c1ccc(CBr)cc1.
What is the InChIKey of CID 57470384?
The InChIKey is DWNCNTOFSGEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,1,6H2.
What are the key properties of CID 57470384?
CID 57470384 has a molecular weight of 184.06 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57470384 is sourced from PubChem (CID 57470384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).