(2-bromobenzoyl) 2-chlorobenzoate

C14H8BrClO3 — CID 88812522

IUPAC(2-bromobenzoyl) 2-chlorobenzoate
SMILESO=C(OC(=O)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H8BrClO3/c15-11-7-3-1-5-9(11)13(17)19-14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKeyWIACXDGUSDIBOU-UHFFFAOYSA-N
MW339.57 g/mol
LogP4.10
Rot. Bonds2

About (2-bromobenzoyl) 2-chlorobenzoate

(2-bromobenzoyl) 2-chlorobenzoate (PubChem CID 88812522) has the molecular formula C14H8BrClO3 and a molecular weight of 339.57 g/mol. Its IUPAC name is (2-bromobenzoyl) 2-chlorobenzoate.

Molecular Properties

Compound Name(2-bromobenzoyl) 2-chlorobenzoate
PubChem CID88812522
Molecular FormulaC14H8BrClO3
Molecular Weight339.57 g/mol
Exact Mass337.93
IUPAC Name(2-bromobenzoyl) 2-chlorobenzoate
SMILESO=C(OC(=O)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H8BrClO3/c15-11-7-3-1-5-9(11)13(17)19-14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKeyWIACXDGUSDIBOU-UHFFFAOYSA-N
XLogP4.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
(2,3-dibromobenzoyl) 2,3-dibromobenzoate
CID 101290895
(3,4-dichlorophenyl) 2-bromobenzoate
CID 532491
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
(5-chloronaphthalene-1-carbonyl) 5-chloronaphthalene-1-carboxylate
CID 87755964
(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049
3-oxobutanoyl 2-chlorobenzoate
CID 175590196
benzoyl 2-chlorobenzoate;3-chlorophthalic acid
CID 174368233
2,2,2-tribromoethyl 2-chlorobenzoate
CID 134101353
(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate
CID 54281074

Frequently Asked Questions

What is the IUPAC name of (2-bromobenzoyl) 2-chlorobenzoate?
The IUPAC name of (2-bromobenzoyl) 2-chlorobenzoate (CID 88812522) is (2-bromobenzoyl) 2-chlorobenzoate.
What is the SMILES notation for (2-bromobenzoyl) 2-chlorobenzoate?
The canonical SMILES for (2-bromobenzoyl) 2-chlorobenzoate is O=C(OC(=O)c1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of (2-bromobenzoyl) 2-chlorobenzoate?
The InChIKey is WIACXDGUSDIBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClO3/c15-11-7-3-1-5-9(11)13(17)19-14(18)10-6-2-4-8-12(10)16/h1-8H.
What are the key properties of (2-bromobenzoyl) 2-chlorobenzoate?
(2-bromobenzoyl) 2-chlorobenzoate has a molecular weight of 339.57 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromobenzoyl) 2-chlorobenzoate is sourced from PubChem (CID 88812522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).