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22921-76-2 | Benzene, 1-(2-bromoethoxy)-4-methoxy-
CAS No: 22921-76-2 Catalog No: AG002LIE MDL No:MFCD00017893
Product Description
Catalog Number:
AG002LIE
Chemical Name:
Benzene, 1-(2-bromoethoxy)-4-methoxy-
CAS Number:
22921-76-2
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
MDL Number:
MFCD00017893
IUPAC Name:
1-(2-bromoethoxy)-4-methoxybenzene
InChI:
InChI=1S/C9H11BrO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3
InChI Key:
PRRJGZRMBVOTGG-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1)OC
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 1-Bromo-2-(4-methoxy-phen-oxy)ethane. | Acta crystallographica. Section E, Structure reports online 20100201 |
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