1- (1- Bromoethyl) - 3- methylbenzene - CAS 88563-82-0
Catalog: |
BB074108 |
Product Name: |
1- (1- Bromoethyl) - 3- methylbenzene |
CAS: |
88563-82-0 |
Synonyms: |
1-(1-bromoethyl)-3-methylbenzene; Benzene, 1-(1-bromoethyl)-3-methyl-; 3-(1-bromoethyl)toluene; (+/-)-1-(1-bromoethyl)-3-methylbenzene |
IUPAC Name: | 1-(1-bromoethyl)-3-methylbenzene |
Description: | 1- (1- Bromoethyl) - 3- methylbenzene is used in the preparation of diarylalkanes via copper-catalyzed C(sp 3)-C(sp 2) cross-coupling of alkyl bromides with oxadiazoles/boronate esters. |
Molecular Weight: | 199.09 |
Molecular Formula: | C9H11Br |
Canonical SMILES: | CC1=CC(=CC=C1)C(C)Br |
InChI: | InChI=1S/C9H11Br/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,1-2H3 |
InChI Key: | ATUPRACSYPXTDF-UHFFFAOYSA-N |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.00441 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.00441 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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