2-(2-carbonobromidoylbenzoyl)benzoyl bromide

C15H8Br2O3 — CID 19862066

IUPAC2-(2-carbonobromidoylbenzoyl)benzoyl bromide
SMILESO=C(Br)c1ccccc1C(=O)c1ccccc1C(=O)Br
InChIInChI=1S/C15H8Br2O3/c16-14(19)11-7-3-1-5-9(11)13(18)10-6-2-4-8-12(10)15(17)20/h1-8H
InChIKeySODFMEQTBGQNHH-UHFFFAOYSA-N
MW396.03 g/mol
LogP3.99
Rot. Bonds4

About 2-(2-carbonobromidoylbenzoyl)benzoyl bromide

2-(2-carbonobromidoylbenzoyl)benzoyl bromide (PubChem CID 19862066) has the molecular formula C15H8Br2O3 and a molecular weight of 396.03 g/mol. Its IUPAC name is 2-(2-carbonobromidoylbenzoyl)benzoyl bromide.

Molecular Properties

Compound Name2-(2-carbonobromidoylbenzoyl)benzoyl bromide
PubChem CID19862066
Molecular FormulaC15H8Br2O3
Molecular Weight396.03 g/mol
Exact Mass393.88
IUPAC Name2-(2-carbonobromidoylbenzoyl)benzoyl bromide
SMILESO=C(Br)c1ccccc1C(=O)c1ccccc1C(=O)Br
InChIInChI=1S/C15H8Br2O3/c16-14(19)11-7-3-1-5-9(11)13(18)10-6-2-4-8-12(10)15(17)20/h1-8H
InChIKeySODFMEQTBGQNHH-UHFFFAOYSA-N
XLogP3.99
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.03
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(tribromomethyl)benzoyl bromide
CID 23326120
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
2-cyanobenzoyl bromide
CID 154315508
2,3-dihydroxybenzoyl bromide
CID 141115203
2-(2-aminobenzoyl)benzoate
CID 6919456
2,3-difluorobenzoyl bromide
CID 91168195
3-hydroxy-2-methylbenzoyl bromide
CID 141077853
benzoyl bromide
CID 12056
4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382
methyl 2-(2-aminobenzoyl)benzoate
CID 83381352
2-benzoylbenzoic acid;hydrofluoride
CID 70485904

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbonobromidoylbenzoyl)benzoyl bromide?
The IUPAC name of 2-(2-carbonobromidoylbenzoyl)benzoyl bromide (CID 19862066) is 2-(2-carbonobromidoylbenzoyl)benzoyl bromide.
What is the SMILES notation for 2-(2-carbonobromidoylbenzoyl)benzoyl bromide?
The canonical SMILES for 2-(2-carbonobromidoylbenzoyl)benzoyl bromide is O=C(Br)c1ccccc1C(=O)c1ccccc1C(=O)Br.
What is the InChIKey of 2-(2-carbonobromidoylbenzoyl)benzoyl bromide?
The InChIKey is SODFMEQTBGQNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2O3/c16-14(19)11-7-3-1-5-9(11)13(18)10-6-2-4-8-12(10)15(17)20/h1-8H.
What are the key properties of 2-(2-carbonobromidoylbenzoyl)benzoyl bromide?
2-(2-carbonobromidoylbenzoyl)benzoyl bromide has a molecular weight of 396.03 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbonobromidoylbenzoyl)benzoyl bromide is sourced from PubChem (CID 19862066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).