CID 177494540

C8H7Cl — CID 177494540

IUPAC—
SMILESCl[C]Cc1ccccc1
InChIInChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyHNDUQRGYSJLHOP-UHFFFAOYSA-N
MW138.60 g/mol
LogP2.51
Rot. Bonds2

About CID 177494540

CID 177494540 (PubChem CID 177494540) has the molecular formula C8H7Cl and a molecular weight of 138.60 g/mol.

Molecular Properties

Compound NameCID 177494540
PubChem CID177494540
Molecular FormulaC8H7Cl
Molecular Weight138.60 g/mol
Exact Mass138.02
IUPAC Name—
SMILESCl[C]Cc1ccccc1
InChIInChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyHNDUQRGYSJLHOP-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 177494540?
The IUPAC name of CID 177494540 (CID 177494540) is not available.
What is the SMILES notation for CID 177494540?
The canonical SMILES for CID 177494540 is Cl[C]Cc1ccccc1.
What is the InChIKey of CID 177494540?
The InChIKey is HNDUQRGYSJLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2.
What are the key properties of CID 177494540?
CID 177494540 has a molecular weight of 138.60 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177494540 is sourced from PubChem (CID 177494540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).