(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone

C11H6BrClOS — CID 102826743

IUPAC(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H6BrClOS/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7/h1-6H
InChIKeyAMXHJTPBYSFQGN-UHFFFAOYSA-N
MW301.59 g/mol
LogP4.39
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone

(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone (PubChem CID 102826743) has the molecular formula C11H6BrClOS and a molecular weight of 301.59 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
PubChem CID102826743
Molecular FormulaC11H6BrClOS
Molecular Weight301.59 g/mol
Exact Mass299.90
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H6BrClOS/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7/h1-6H
InChIKeyAMXHJTPBYSFQGN-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone (CID 102826743) is (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone?
The InChIKey is AMXHJTPBYSFQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClOS/c12-8-6-9(15-11(8)13)10(14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone?
(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone has a molecular weight of 301.59 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 102826743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).