CID 67130957

C7H7ClNaO — CID 67130957

IUPAC—
SMILESCc1cc(O)ccc1Cl.[Na]
InChIInChI=1S/C7H7ClO.Na/c1-5-4-6(9)2-3-7(5)8;/h2-4,9H,1H3;
InChIKeyNFJHKCJICHOFRZ-UHFFFAOYSA-N
MW165.57 g/mol
LogP1.97
Rot. Bonds

About CID 67130957

CID 67130957 (PubChem CID 67130957) has the molecular formula C7H7ClNaO and a molecular weight of 165.57 g/mol.

Molecular Properties

Compound NameCID 67130957
PubChem CID67130957
Molecular FormulaC7H7ClNaO
Molecular Weight165.57 g/mol
Exact Mass165.01
IUPAC Name—
SMILESCc1cc(O)ccc1Cl.[Na]
InChIInChI=1S/C7H7ClO.Na/c1-5-4-6(9)2-3-7(5)8;/h2-4,9H,1H3;
InChIKeyNFJHKCJICHOFRZ-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.57
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 67130957?
The IUPAC name of CID 67130957 (CID 67130957) is not available.
What is the SMILES notation for CID 67130957?
The canonical SMILES for CID 67130957 is Cc1cc(O)ccc1Cl.[Na].
What is the InChIKey of CID 67130957?
The InChIKey is NFJHKCJICHOFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO.Na/c1-5-4-6(9)2-3-7(5)8;/h2-4,9H,1H3;.
What are the key properties of CID 67130957?
CID 67130957 has a molecular weight of 165.57 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67130957 is sourced from PubChem (CID 67130957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).