2-(3-chlorophenoxy)benzoyl bromide

C13H8BrClO2 — CID 139662791

IUPAC2-(3-chlorophenoxy)benzoyl bromide
SMILESO=C(Br)c1ccccc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H8BrClO2/c14-13(16)11-6-1-2-7-12(11)17-10-5-3-4-9(15)8-10/h1-8H
InChIKeyOIBYJYLRFFMDBJ-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.67
Rot. Bonds3

About 2-(3-chlorophenoxy)benzoyl bromide

2-(3-chlorophenoxy)benzoyl bromide (PubChem CID 139662791) has the molecular formula C13H8BrClO2 and a molecular weight of 311.56 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)benzoyl bromide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)benzoyl bromide
PubChem CID139662791
Molecular FormulaC13H8BrClO2
Molecular Weight311.56 g/mol
Exact Mass309.94
IUPAC Name2-(3-chlorophenoxy)benzoyl bromide
SMILESO=C(Br)c1ccccc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H8BrClO2/c14-13(16)11-6-1-2-7-12(11)17-10-5-3-4-9(15)8-10/h1-8H
InChIKeyOIBYJYLRFFMDBJ-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
1-chloro-3-(2-iodophenoxy)benzene
CID 138106392
1,2,4-trichloro-5-(3-chlorophenoxy)benzene
CID 23274709
(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
CID 170876770
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
5-chloro-2-(3-chlorophenoxy)benzenecarbothioamide
CID 63520511
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
CID 146154870
5-bromo-2-(3-chlorophenoxy)benzenecarbothioamide
CID 114892206

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)benzoyl bromide?
The IUPAC name of 2-(3-chlorophenoxy)benzoyl bromide (CID 139662791) is 2-(3-chlorophenoxy)benzoyl bromide.
What is the SMILES notation for 2-(3-chlorophenoxy)benzoyl bromide?
The canonical SMILES for 2-(3-chlorophenoxy)benzoyl bromide is O=C(Br)c1ccccc1Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)benzoyl bromide?
The InChIKey is OIBYJYLRFFMDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClO2/c14-13(16)11-6-1-2-7-12(11)17-10-5-3-4-9(15)8-10/h1-8H.
What are the key properties of 2-(3-chlorophenoxy)benzoyl bromide?
2-(3-chlorophenoxy)benzoyl bromide has a molecular weight of 311.56 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)benzoyl bromide is sourced from PubChem (CID 139662791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).