N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine

C7H7ClNO2- — CID 163146567

IUPACN-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine
SMILESCc1cc(N([O-])O)ccc1Cl
InChIInChI=1S/C7H7ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4,10H,1H3/q-1
InChIKeyAITLTGADQVKMQY-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.34
Rot. Bonds1

About N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine

N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine (PubChem CID 163146567) has the molecular formula C7H7ClNO2- and a molecular weight of 172.59 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine
PubChem CID163146567
Molecular FormulaC7H7ClNO2-
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC NameN-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine
SMILESCc1cc(N([O-])O)ccc1Cl
InChIInChI=1S/C7H7ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4,10H,1H3/q-1
InChIKeyAITLTGADQVKMQY-UHFFFAOYSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine (CID 163146567) is N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine is Cc1cc(N([O-])O)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine?
The InChIKey is AITLTGADQVKMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4,10H,1H3/q-1.
What are the key properties of N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine?
N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine has a molecular weight of 172.59 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine is sourced from PubChem (CID 163146567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).