nitrosobenzene

C6H5NO — CID 11473

IUPACnitrosobenzene
SMILESO=Nc1ccccc1
InChIInChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKeyNLRKCXQQSUWLCH-UHFFFAOYSA-N
MW107.11 g/mol
LogP2.08
Rot. Bonds1

About nitrosobenzene

nitrosobenzene (PubChem CID 11473) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is nitrosobenzene.

Molecular Properties

Compound Namenitrosobenzene
PubChem CID11473
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Namenitrosobenzene
SMILESO=Nc1ccccc1
InChIInChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKeyNLRKCXQQSUWLCH-UHFFFAOYSA-N
XLogP2.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Aniline
CID 6115
Nitrobenzene
CID 7416
4-Nitroaniline
CID 7475
1,3-Dinitrobenzene
CID 7452
N-Phenylhydroxylamine
CID 7518
1,2-Dinitrobenzene
CID 10707
3-Nitroaniline
CID 7423
1,4-Dinitrobenzene
CID 7492
Phenyl isocyanate
CID 7672
Nitarsone
CID 66826
3-Nitrophenylboronic Acid
CID 1677
Azoxybenzene
CID 10316

Frequently Asked Questions

What is the IUPAC name of nitrosobenzene?
The IUPAC name of nitrosobenzene (CID 11473) is nitrosobenzene.
What is the SMILES notation for nitrosobenzene?
The canonical SMILES for nitrosobenzene is O=Nc1ccccc1.
What is the InChIKey of nitrosobenzene?
The InChIKey is NLRKCXQQSUWLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of nitrosobenzene?
nitrosobenzene has a molecular weight of 107.11 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrosobenzene is sourced from PubChem (CID 11473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).