CID 70258691

C8H7ClNaO2 — CID 70258691

IUPAC—
SMILESO=C(O)c1ccc(CCl)cc1.[Na]
InChIInChI=1S/C8H7ClO2.Na/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H,10,11);
InChIKeyRLZWSGLOGXEERZ-UHFFFAOYSA-N
MW193.58 g/mol
LogP1.74
Rot. Bonds2

About CID 70258691

CID 70258691 (PubChem CID 70258691) has the molecular formula C8H7ClNaO2 and a molecular weight of 193.58 g/mol.

Molecular Properties

Compound NameCID 70258691
PubChem CID70258691
Molecular FormulaC8H7ClNaO2
Molecular Weight193.58 g/mol
Exact Mass193.00
IUPAC Name—
SMILESO=C(O)c1ccc(CCl)cc1.[Na]
InChIInChI=1S/C8H7ClO2.Na/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H,10,11);
InChIKeyRLZWSGLOGXEERZ-UHFFFAOYSA-N
XLogP1.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-(2-hydroxyethyl)benzoic acid
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4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-(bromomethyl)benzoic acid;hydrobromide
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[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of CID 70258691?
The IUPAC name of CID 70258691 (CID 70258691) is not available.
What is the SMILES notation for CID 70258691?
The canonical SMILES for CID 70258691 is O=C(O)c1ccc(CCl)cc1.[Na].
What is the InChIKey of CID 70258691?
The InChIKey is RLZWSGLOGXEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2.Na/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H,10,11);.
What are the key properties of CID 70258691?
CID 70258691 has a molecular weight of 193.58 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70258691 is sourced from PubChem (CID 70258691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).