1-nitro-2-[nitroso(phenyl)methyl]benzene

C13H10N2O3 — CID 57068821

IUPAC1-nitro-2-[nitroso(phenyl)methyl]benzene
SMILESO=NC(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9,13H
InChIKeyIQGHDKMDGGORCE-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.45
Rot. Bonds4

About 1-nitro-2-[nitroso(phenyl)methyl]benzene

1-nitro-2-[nitroso(phenyl)methyl]benzene (PubChem CID 57068821) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-nitro-2-[nitroso(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-nitro-2-[nitroso(phenyl)methyl]benzene
PubChem CID57068821
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name1-nitro-2-[nitroso(phenyl)methyl]benzene
SMILESO=NC(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9,13H
InChIKeyIQGHDKMDGGORCE-UHFFFAOYSA-N
XLogP3.45
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile
CID 57413320
1,4-bis[nitroso(phenyl)methyl]benzene
CID 54419533
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
2-(2-nitrophenyl)propanedioic acid
CID 18413218
8-nitro-7-[nitroso(phenyl)methyl]quinoline
CID 126516699
(1R,2S)-1-(2-nitrophenyl)-2-phenylbut-3-en-1-ol
CID 102050815
(2S)-2-bromo-2-(2-nitrophenyl)acetic acid
CID 97170538
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
phenyl 2-(2-nitrophenyl)-2-phenylacetate
CID 23292464
2,2-bis(2-nitrophenyl)acetonitrile
CID 2750302
(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794
2-(2-nitrophenyl)-2-(sulfonylamino)acetic acid
CID 174864899

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[nitroso(phenyl)methyl]benzene?
The IUPAC name of 1-nitro-2-[nitroso(phenyl)methyl]benzene (CID 57068821) is 1-nitro-2-[nitroso(phenyl)methyl]benzene.
What is the SMILES notation for 1-nitro-2-[nitroso(phenyl)methyl]benzene?
The canonical SMILES for 1-nitro-2-[nitroso(phenyl)methyl]benzene is O=NC(c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-[nitroso(phenyl)methyl]benzene?
The InChIKey is IQGHDKMDGGORCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9,13H.
What are the key properties of 1-nitro-2-[nitroso(phenyl)methyl]benzene?
1-nitro-2-[nitroso(phenyl)methyl]benzene has a molecular weight of 242.23 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[nitroso(phenyl)methyl]benzene is sourced from PubChem (CID 57068821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).