CID 87920580

C9H10AsNO3 — CID 87920580

IUPAC—
SMILESCOC(=O)Nc1ccc([As])cc1OC
InChIInChI=1S/C9H10AsNO3/c1-13-8-5-6(10)3-4-7(8)11-9(12)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyIMQWXPDEDLMMHA-UHFFFAOYSA-N
MW255.10 g/mol
LogP0.67
Rot. Bonds2

About CID 87920580

CID 87920580 (PubChem CID 87920580) has the molecular formula C9H10AsNO3 and a molecular weight of 255.10 g/mol.

Molecular Properties

Compound NameCID 87920580
PubChem CID87920580
Molecular FormulaC9H10AsNO3
Molecular Weight255.10 g/mol
Exact Mass254.99
IUPAC Name—
SMILESCOC(=O)Nc1ccc([As])cc1OC
InChIInChI=1S/C9H10AsNO3/c1-13-8-5-6(10)3-4-7(8)11-9(12)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyIMQWXPDEDLMMHA-UHFFFAOYSA-N
XLogP0.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
methyl N-(2,4,5-trimethoxyphenyl)carbamate
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methyl N-(4-isocyanato-2-methoxyphenyl)carbamate
CID 169354298
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
dimethyl (E)-2-[3-methoxy-4-(methoxycarbonylamino)anilino]but-2-enedioate
CID 168568697
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
tert-butyl N-[4-(chloromethyl)-2-methoxyphenyl]carbamate
CID 117236540
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate
CID 89347853
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953

Frequently Asked Questions

What is the IUPAC name of CID 87920580?
The IUPAC name of CID 87920580 (CID 87920580) is not available.
What is the SMILES notation for CID 87920580?
The canonical SMILES for CID 87920580 is COC(=O)Nc1ccc([As])cc1OC.
What is the InChIKey of CID 87920580?
The InChIKey is IMQWXPDEDLMMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10AsNO3/c1-13-8-5-6(10)3-4-7(8)11-9(12)14-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of CID 87920580?
CID 87920580 has a molecular weight of 255.10 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87920580 is sourced from PubChem (CID 87920580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).