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CAS 100-59-4 manufacturers and suppliers on PharmaCompass

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CAS 100-59-4
Also known as: 100-59-4, Magnesium, chlorophenyl-, Chlorophenylmagnesium, Mfcd00000464, Phenyl magnesium chloride, Phenylmagnesium chloride, 1.0 m in 2-methf
Molecular Formula
C6H5ClMg
Molecular Weight
136.86  g/mol
InChI Key
IWCVDCOJSPWGRW-UHFFFAOYSA-M

1 2D Structure

CAS 100-59-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
magnesium;benzene;chloride
2.1.2 InChI
InChI=1S/C6H5.ClH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q-1;;+2/p-1
2.1.3 InChI Key
IWCVDCOJSPWGRW-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1=CC=[C-]C=C1.[Mg+2].[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 100-59-4

2. Magnesium, Chlorophenyl-

3. Chlorophenylmagnesium

4. Mfcd00000464

5. Phenyl Magnesium Chloride

6. Phenylmagnesium Chloride, 1.0 M In 2-methf

7. Phenylmagnesiumchloride

8. Phenyl-magnesium Chloride

9. Phmgcl

10. Unii-739y484f5h

11. Hsdb 5336

12. Einecs 202-868-8

13. Phenylmagnesiu

14. Chloro(phenyl)magnesium

15. Ec 202-868-8

16. Schembl1486

17. Dtxsid8059215

18. Chebi:51490

19. Gqonlaszrvfghi-uhfffaoysa-m

20. Akos009159060

21. 739y484f5h

22. Phenylmagnesium Chloride, 2-3m In Thf

23. Phenylmagnesium Chloride, 1.0 M In Thf

24. F20531

25. J-802275

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 136.86 g/mol
Molecular Formula C6H5ClMg
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area0
Heavy Atom Count8
Formal Charge0
Complexity100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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