CAS 29086-41-7

1 2D Structure

CAS 29086-41-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1-bis(bromomethyl)cyclopropane

2.1.2 InChI

InChI=1S/C5H8Br2/c6-3-5(4-7)1-2-5/h1-4H2

2.1.3 InChI Key

GJCHFNVRRQTXHL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1(CBr)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 29086-41-7

2. 1,1-bis-(bromomethyl)-cyclopropane

3. Cyclopropane, 1,1-bis(bromomethyl)-

4. Mfcd18836655

5. Ec 805-270-0

6. Schembl3659642

7. Dtxsid90452195

8. 1,1-bis-(bromomethyl) Cyclopropane

9. Akos016005789

10. Zinc100043788

11. Ds-15112

12. Sy105835

13. 1,1-bis(bromomethyl)-cyclopropane

14. Db-102853

15. Cs-0088398

16. Ft-0696705

17. A876531

18. F8888-3780

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₈Br₂
Molecular Weight	227.92 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	227.89723 g/mol
Monoisotopic Mass	225.89928 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	60.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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