CID 58762875

C7H4ClNO2 — CID 58762875

IUPAC—
SMILES[CH]c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H4ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h1-4H
InChIKeySUYUQSZNIAQNPJ-UHFFFAOYSA-N
MW169.57 g/mol
LogP2.31
Rot. Bonds1

About CID 58762875

CID 58762875 (PubChem CID 58762875) has the molecular formula C7H4ClNO2 and a molecular weight of 169.57 g/mol.

Molecular Properties

Compound NameCID 58762875
PubChem CID58762875
Molecular FormulaC7H4ClNO2
Molecular Weight169.57 g/mol
Exact Mass168.99
IUPAC Name—
SMILES[CH]c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H4ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h1-4H
InChIKeySUYUQSZNIAQNPJ-UHFFFAOYSA-N
XLogP2.31
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 58697900
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CID 11842973
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
2-(5-chloro-2-nitrophenyl)sulfonylethanesulfonyl chloride
CID 115471997
4-chloro-2,6-dinitrophenolate
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Frequently Asked Questions

What is the IUPAC name of CID 58762875?
The IUPAC name of CID 58762875 (CID 58762875) is not available.
What is the SMILES notation for CID 58762875?
The canonical SMILES for CID 58762875 is [CH]c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of CID 58762875?
The InChIKey is SUYUQSZNIAQNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h1-4H.
What are the key properties of CID 58762875?
CID 58762875 has a molecular weight of 169.57 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58762875 is sourced from PubChem (CID 58762875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).