4-chloro-3-(4-chlorobenzoyl)benzoyl bromide

C14H7BrCl2O2 — CID 87246560

IUPAC4-chloro-3-(4-chlorobenzoyl)benzoyl bromide
SMILESO=C(Br)c1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H7BrCl2O2/c15-14(19)9-3-6-12(17)11(7-9)13(18)8-1-4-10(16)5-2-8/h1-7H
InChIKeyVJFVCCKWYZJHMA-UHFFFAOYSA-N
MW358.02 g/mol
LogP4.76
Rot. Bonds3

About 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide

4-chloro-3-(4-chlorobenzoyl)benzoyl bromide (PubChem CID 87246560) has the molecular formula C14H7BrCl2O2 and a molecular weight of 358.02 g/mol. Its IUPAC name is 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide.

Molecular Properties

Compound Name4-chloro-3-(4-chlorobenzoyl)benzoyl bromide
PubChem CID87246560
Molecular FormulaC14H7BrCl2O2
Molecular Weight358.02 g/mol
Exact Mass355.90
IUPAC Name4-chloro-3-(4-chlorobenzoyl)benzoyl bromide
SMILESO=C(Br)c1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H7BrCl2O2/c15-14(19)9-3-6-12(17)11(7-9)13(18)8-1-4-10(16)5-2-8/h1-7H
InChIKeyVJFVCCKWYZJHMA-UHFFFAOYSA-N
XLogP4.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.02
LogP ≤ 54.76
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

(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
4-(4-chlorobenzoyl)benzene-1,3-dicarboxylic acid
CID 587323
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
sodium 4-(2,5-dichlorobenzoyl)benzenesulfonate
CID 58782438
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
[2,5-dichloro-4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 3101530
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide?
The IUPAC name of 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide (CID 87246560) is 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide.
What is the SMILES notation for 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide?
The canonical SMILES for 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide is O=C(Br)c1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide?
The InChIKey is VJFVCCKWYZJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2O2/c15-14(19)9-3-6-12(17)11(7-9)13(18)8-1-4-10(16)5-2-8/h1-7H.
What are the key properties of 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide?
4-chloro-3-(4-chlorobenzoyl)benzoyl bromide has a molecular weight of 358.02 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chlorobenzoyl)benzoyl bromide is sourced from PubChem (CID 87246560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).