2-(3-nitrobenzoyl)benzoyl chloride

C14H8ClNO4 — CID 86186966

IUPAC2-(3-nitrobenzoyl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H8ClNO4/c15-14(18)12-7-2-1-6-11(12)13(17)9-4-3-5-10(8-9)16(19)20/h1-8H
InChIKeyJHGKBKUYSNFJPN-UHFFFAOYSA-N
MW289.67 g/mol
LogP3.20
Rot. Bonds4

About 2-(3-nitrobenzoyl)benzoyl chloride

2-(3-nitrobenzoyl)benzoyl chloride (PubChem CID 86186966) has the molecular formula C14H8ClNO4 and a molecular weight of 289.67 g/mol. Its IUPAC name is 2-(3-nitrobenzoyl)benzoyl chloride.

Molecular Properties

Compound Name2-(3-nitrobenzoyl)benzoyl chloride
PubChem CID86186966
Molecular FormulaC14H8ClNO4
Molecular Weight289.67 g/mol
Exact Mass289.01
IUPAC Name2-(3-nitrobenzoyl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H8ClNO4/c15-14(18)12-7-2-1-6-11(12)13(17)9-4-3-5-10(8-9)16(19)20/h1-8H
InChIKeyJHGKBKUYSNFJPN-UHFFFAOYSA-N
XLogP3.20
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 53.20
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

(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
4-(3-nitrobenzoyl)benzoic acid
CID 803392
[6-(3-nitrobenzoyl)-2-pyridinyl]-(3-nitrophenyl)methanone
CID 86047194
4-(3-nitrobenzoyl)phthalate
CID 4097482
(3,4-dinitrophenyl)-(3-nitrophenyl)methanone
CID 3092902
3-nitrobenzoyl iodide
CID 87511250
2-chloro-1-(3-nitrophenyl)ethanone
CID 7437
(3,4-dimethylphenyl)-(3-nitrophenyl)methanone
CID 3084858
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
benzoyl bromide;1,3-dinitrobenzene
CID 174634067
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
(E)-3-chloro-2-methyl-3-(3-nitrophenyl)prop-2-enal
CID 91998721

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrobenzoyl)benzoyl chloride?
The IUPAC name of 2-(3-nitrobenzoyl)benzoyl chloride (CID 86186966) is 2-(3-nitrobenzoyl)benzoyl chloride.
What is the SMILES notation for 2-(3-nitrobenzoyl)benzoyl chloride?
The canonical SMILES for 2-(3-nitrobenzoyl)benzoyl chloride is O=C(Cl)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrobenzoyl)benzoyl chloride?
The InChIKey is JHGKBKUYSNFJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO4/c15-14(18)12-7-2-1-6-11(12)13(17)9-4-3-5-10(8-9)16(19)20/h1-8H.
What are the key properties of 2-(3-nitrobenzoyl)benzoyl chloride?
2-(3-nitrobenzoyl)benzoyl chloride has a molecular weight of 289.67 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrobenzoyl)benzoyl chloride is sourced from PubChem (CID 86186966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).