(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone

C13H4BrCl5O — CID 107950076

IUPAC(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H4BrCl5O/c14-6-1-5(2-7(15)3-6)13(20)10-8(16)4-9(17)11(18)12(10)19/h1-4H
InChIKeyHOPRDHQFHDCNSH-UHFFFAOYSA-N
MW433.34 g/mol
LogP6.95
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone

(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone (PubChem CID 107950076) has the molecular formula C13H4BrCl5O and a molecular weight of 433.34 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
PubChem CID107950076
Molecular FormulaC13H4BrCl5O
Molecular Weight433.34 g/mol
Exact Mass429.79
IUPAC Name(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H4BrCl5O/c14-6-1-5(2-7(15)3-6)13(20)10-8(16)4-9(17)11(18)12(10)19/h1-4H
InChIKeyHOPRDHQFHDCNSH-UHFFFAOYSA-N
XLogP6.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-5-chlorobenzoyl chloride
CID 50998129
3-bromo-5-chlorobenzamide
CID 53417471
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
CID 107957051
(3-bromo-5-chlorophenyl)-(2,5-difluorophenyl)methanone
CID 107944439
4-(3-bromo-5-chlorobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 107949739
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349259
(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 107944693

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone (CID 107950076) is (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone is O=C(c1cc(Cl)cc(Br)c1)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The InChIKey is HOPRDHQFHDCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4BrCl5O/c14-6-1-5(2-7(15)3-6)13(20)10-8(16)4-9(17)11(18)12(10)19/h1-4H.
What are the key properties of (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
(3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone has a molecular weight of 433.34 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone is sourced from PubChem (CID 107950076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).