CID 175600480

C7H6NO2Sn — CID 175600480

IUPAC—
SMILESCc1cc([Sn])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H6NO2.Sn/c1-6-3-2-4-7(5-6)8(9)10;/h3-5H,1H3;
InChIKeyGIMUKWNTYJDFKT-UHFFFAOYSA-N
MW254.84 g/mol
LogP0.70
Rot. Bonds1

About CID 175600480

CID 175600480 (PubChem CID 175600480) has the molecular formula C7H6NO2Sn and a molecular weight of 254.84 g/mol.

Molecular Properties

Compound NameCID 175600480
PubChem CID175600480
Molecular FormulaC7H6NO2Sn
Molecular Weight254.84 g/mol
Exact Mass255.94
IUPAC Name—
SMILESCc1cc([Sn])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H6NO2.Sn/c1-6-3-2-4-7(5-6)8(9)10;/h3-5H,1H3;
InChIKeyGIMUKWNTYJDFKT-UHFFFAOYSA-N
XLogP0.70
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.84
LogP ≤ 50.70
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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1-methyl-3-nitrobenzene
CID 7422
(3-methyl-5-nitrophenyl) methanesulfonate
CID 151073917
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CID 87172748
2,6-dimethyl-4-nitrophenolate
CID 6993803
1-methyl-3-nitrobenzene chloride
CID 20509973
azane;1-methyl-3-nitrobenzene
CID 174504430
(3-methyl-5-nitrophenyl)methanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of CID 175600480?
The IUPAC name of CID 175600480 (CID 175600480) is not available.
What is the SMILES notation for CID 175600480?
The canonical SMILES for CID 175600480 is Cc1cc([Sn])cc([N+](=O)[O-])c1.
What is the InChIKey of CID 175600480?
The InChIKey is GIMUKWNTYJDFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2.Sn/c1-6-3-2-4-7(5-6)8(9)10;/h3-5H,1H3;.
What are the key properties of CID 175600480?
CID 175600480 has a molecular weight of 254.84 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175600480 is sourced from PubChem (CID 175600480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).