EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q6QH2H43TM
EPA CompTox	DTXSID70208955

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q6QH2H43TM

EPA CompTox

DTXSID70208955


InChI Key	KSCVSVDHVXNGCH-UHFFFAOYSA-N
Smiles	Clc1cc(Cl)c(cc1)C1(CBr)OCCO1
InChI	InChI=1S/C10H9BrCl2O2/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13/h1-2,5H,3-4,6H2

InChI Key

KSCVSVDHVXNGCH-UHFFFAOYSA-N

Smiles

Clc1cc(Cl)c(cc1)C1(CBr)OCCO1

InChI

InChI=1S/C10H9BrCl2O2/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13/h1-2,5H,3-4,6H2

Property Name	Value
Molecular Formula	C10H9Br1Cl2O2
Molecular Weight	309.92
AlogP	3.59
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	18.46
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H9Br1Cl2O2

Molecular Weight

309.92

AlogP

3.59

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

18.46

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	60207-30-9
NORMAN SUSDAT
FDA SRS	Q6QH2H43TM
PubChem	108906
ChemSpider	97937.0

Resources

Reference

CAS NUMBER

60207-30-9

NORMAN SUSDAT

FDA SRS

Q6QH2H43TM

PubChem

108906

ChemSpider

97937.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-(BROMOMETHYL)-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLANE

Structure

Physicochemical Descriptors

Cross References