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Also known as: 29086-41-7, 1,1-bis-(bromomethyl)-cyclopropane, Cyclopropane, 1,1-bis(bromomethyl)-, Mfcd18836655, Ec 805-270-0, Schembl3659642
Molecular Formula
C5H8Br2
Molecular Weight
227.92  g/mol
InChI Key
GJCHFNVRRQTXHL-UHFFFAOYSA-N

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 Weight 227.92 g/mol
Molecular Formula C5H8Br2
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass227.89723 g/mol
Monoisotopic Mass225.89928 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity60.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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