CID 102035541

C8H8Cl — CID 102035541

IUPAC—
SMILESC[CH]c1ccccc1Cl
InChIInChI=1S/C8H8Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H3
InChIKeyZXKQZJJDBFGKRK-UHFFFAOYSA-N
MW139.60 g/mol
LogP2.91
Rot. Bonds1

About CID 102035541

CID 102035541 (PubChem CID 102035541) has the molecular formula C8H8Cl and a molecular weight of 139.60 g/mol.

Molecular Properties

Compound NameCID 102035541
PubChem CID102035541
Molecular FormulaC8H8Cl
Molecular Weight139.60 g/mol
Exact Mass139.03
IUPAC Name—
SMILESC[CH]c1ccccc1Cl
InChIInChI=1S/C8H8Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H3
InChIKeyZXKQZJJDBFGKRK-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.60
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 102035541?
The IUPAC name of CID 102035541 (CID 102035541) is not available.
What is the SMILES notation for CID 102035541?
The canonical SMILES for CID 102035541 is C[CH]c1ccccc1Cl.
What is the InChIKey of CID 102035541?
The InChIKey is ZXKQZJJDBFGKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H3.
What are the key properties of CID 102035541?
CID 102035541 has a molecular weight of 139.60 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102035541 is sourced from PubChem (CID 102035541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).