CID 70381437

C6H4ClNNaO2 — CID 70381437

IUPAC—
SMILESO=[N+]([O-])c1ccc(Cl)cc1.[Na]
InChIInChI=1S/C6H4ClNO2.Na/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H;
InChIKeyFNJBZIAZSGKNKF-UHFFFAOYSA-N
MW180.55 g/mol
LogP1.87
Rot. Bonds1

About CID 70381437

CID 70381437 (PubChem CID 70381437) has the molecular formula C6H4ClNNaO2 and a molecular weight of 180.55 g/mol.

Molecular Properties

Compound NameCID 70381437
PubChem CID70381437
Molecular FormulaC6H4ClNNaO2
Molecular Weight180.55 g/mol
Exact Mass179.98
IUPAC Name—
SMILESO=[N+]([O-])c1ccc(Cl)cc1.[Na]
InChIInChI=1S/C6H4ClNO2.Na/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H;
InChIKeyFNJBZIAZSGKNKF-UHFFFAOYSA-N
XLogP1.87
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.55
LogP ≤ 51.87
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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carbonochloridic acid;1-chloro-4-nitrobenzene
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3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
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CID 141454389
1-chloro-4-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 15716431
CID 59711141
CID 59711141
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
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[N-(4-chlorophenyl)-C-(4-nitrophenyl)carbonimidoyl]sulfanyl N-(4-chlorophenyl)-4-nitrobenzenecarboximidothioate
CID 71465652

Frequently Asked Questions

What is the IUPAC name of CID 70381437?
The IUPAC name of CID 70381437 (CID 70381437) is not available.
What is the SMILES notation for CID 70381437?
The canonical SMILES for CID 70381437 is O=[N+]([O-])c1ccc(Cl)cc1.[Na].
What is the InChIKey of CID 70381437?
The InChIKey is FNJBZIAZSGKNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.Na/c7-5-1-3-6(4-2-5)8(9)10;/h1-4H;.
What are the key properties of CID 70381437?
CID 70381437 has a molecular weight of 180.55 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70381437 is sourced from PubChem (CID 70381437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).