1,2-bis(2-nitrophenyl)ethanone

C14H10N2O5 — CID 2750227

IUPAC1,2-bis(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N2O5/c17-14(11-6-2-4-8-13(11)16(20)21)9-10-5-1-3-7-12(10)15(18)19/h1-8H,9H2
InChIKeySRFXAZQIBPBVEY-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.93
Rot. Bonds5

About 1,2-bis(2-nitrophenyl)ethanone

1,2-bis(2-nitrophenyl)ethanone (PubChem CID 2750227) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 1,2-bis(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1,2-bis(2-nitrophenyl)ethanone
PubChem CID2750227
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name1,2-bis(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N2O5/c17-14(11-6-2-4-8-13(11)16(20)21)9-10-5-1-3-7-12(10)15(18)19/h1-8H,9H2
InChIKeySRFXAZQIBPBVEY-UHFFFAOYSA-N
XLogP2.93
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
CID 12844789
1-(5-bromo-2-chlorophenyl)-2-(2-nitrophenyl)ethanone
CID 61056069
[2-(2-nitrophenyl)-2-oxoethyl] nitrate
CID 71676932
1-(4-bromo-2-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 61056070
1-(4-bromo-2-chlorophenyl)-2-(2-nitrophenyl)ethanone
CID 61055886
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
1-(2-nitrophenyl)pentane-1,4-dione
CID 43608280
2-(methylamino)-1-(2-nitrophenyl)ethanone
CID 23083587
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-nitrophenyl)ethanone?
The IUPAC name of 1,2-bis(2-nitrophenyl)ethanone (CID 2750227) is 1,2-bis(2-nitrophenyl)ethanone.
What is the SMILES notation for 1,2-bis(2-nitrophenyl)ethanone?
The canonical SMILES for 1,2-bis(2-nitrophenyl)ethanone is O=C(Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1,2-bis(2-nitrophenyl)ethanone?
The InChIKey is SRFXAZQIBPBVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-14(11-6-2-4-8-13(11)16(20)21)9-10-5-1-3-7-12(10)15(18)19/h1-8H,9H2.
What are the key properties of 1,2-bis(2-nitrophenyl)ethanone?
1,2-bis(2-nitrophenyl)ethanone has a molecular weight of 286.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-nitrophenyl)ethanone is sourced from PubChem (CID 2750227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).