CID 6334188

C9H12AsBrNO2 — CID 6334188

IUPAC—
SMILESC[As](C)(C)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12AsBrNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3
InChIKeyGSQZQEIKOIHNKC-UHFFFAOYSA-N
MW321.03 g/mol
LogP2.90
Rot. Bonds2

About CID 6334188

CID 6334188 (PubChem CID 6334188) has the molecular formula C9H12AsBrNO2 and a molecular weight of 321.03 g/mol.

Molecular Properties

Compound NameCID 6334188
PubChem CID6334188
Molecular FormulaC9H12AsBrNO2
Molecular Weight321.03 g/mol
Exact Mass319.93
IUPAC Name—
SMILESC[As](C)(C)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12AsBrNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3
InChIKeyGSQZQEIKOIHNKC-UHFFFAOYSA-N
XLogP2.90
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.03
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of CID 6334188?
The IUPAC name of CID 6334188 (CID 6334188) is not available.
What is the SMILES notation for CID 6334188?
The canonical SMILES for CID 6334188 is C[As](C)(C)c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of CID 6334188?
The InChIKey is GSQZQEIKOIHNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12AsBrNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3.
What are the key properties of CID 6334188?
CID 6334188 has a molecular weight of 321.03 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6334188 is sourced from PubChem (CID 6334188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).