5-nitro-2-phenoxybenzoyl chloride

C13H8ClNO4 — CID 21406549

IUPAC5-nitro-2-phenoxybenzoyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C13H8ClNO4/c14-13(16)11-8-9(15(17)18)6-7-12(11)19-10-4-2-1-3-5-10/h1-8H
InChIKeyGSOCUQJYEXBKND-UHFFFAOYSA-N
MW277.66 g/mol
LogP3.77
Rot. Bonds4

About 5-nitro-2-phenoxybenzoyl chloride

5-nitro-2-phenoxybenzoyl chloride (PubChem CID 21406549) has the molecular formula C13H8ClNO4 and a molecular weight of 277.66 g/mol. Its IUPAC name is 5-nitro-2-phenoxybenzoyl chloride.

Molecular Properties

Compound Name5-nitro-2-phenoxybenzoyl chloride
PubChem CID21406549
Molecular FormulaC13H8ClNO4
Molecular Weight277.66 g/mol
Exact Mass277.01
IUPAC Name5-nitro-2-phenoxybenzoyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C13H8ClNO4/c14-13(16)11-8-9(15(17)18)6-7-12(11)19-10-4-2-1-3-5-10/h1-8H
InChIKeyGSOCUQJYEXBKND-UHFFFAOYSA-N
XLogP3.77
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.66
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
1-[2-(4-chlorophenoxy)-5-nitrophenyl]ethanone
CID 62873585
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
5-nitro-2-phenylbenzoyl chloride
CID 21406523
2-(4-nitrophenoxy)benzoic acid
CID 139059188
5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide
CID 119386925
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
CID 52636946
1-[2-(3-methoxyphenoxy)-5-nitrophenyl]ethanone
CID 62873224
chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium
CID 162435834

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-phenoxybenzoyl chloride?
The IUPAC name of 5-nitro-2-phenoxybenzoyl chloride (CID 21406549) is 5-nitro-2-phenoxybenzoyl chloride.
What is the SMILES notation for 5-nitro-2-phenoxybenzoyl chloride?
The canonical SMILES for 5-nitro-2-phenoxybenzoyl chloride is O=C(Cl)c1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of 5-nitro-2-phenoxybenzoyl chloride?
The InChIKey is GSOCUQJYEXBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO4/c14-13(16)11-8-9(15(17)18)6-7-12(11)19-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-nitro-2-phenoxybenzoyl chloride?
5-nitro-2-phenoxybenzoyl chloride has a molecular weight of 277.66 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenoxybenzoyl chloride is sourced from PubChem (CID 21406549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).