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18800-32-3 | Benzene, 1-(2-bromoethoxy)-2-methyl-
CAS No: 18800-32-3 Catalog No: AG002GNF MDL No:MFCD00082851
Product Description
Catalog Number:
AG002GNF
Chemical Name:
Benzene, 1-(2-bromoethoxy)-2-methyl-
CAS Number:
18800-32-3
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD00082851
IUPAC Name:
1-(2-bromoethoxy)-2-methylbenzene
InChI:
InChI=1S/C9H11BrO/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5H,6-7H2,1H3
InChI Key:
ABXRTJHEVCZIAG-UHFFFAOYSA-N
SMILES:
BrCCOc1ccccc1C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| 1-[Bis(4-fluoro-phen-yl)meth-yl]-4-[2-(2-methyl-phen-oxy)eth-yl]piperazine. | Acta crystallographica. Section E, Structure reports online 20120401 |
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