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13247-80-8 | Naphthalene, 2-(2-bromoethoxy)-
CAS No: 13247-80-8 Catalog No: AG0010QA MDL No:MFCD00837561
Product Description
Catalog Number:
AG0010QA
Chemical Name:
Naphthalene, 2-(2-bromoethoxy)-
CAS Number:
13247-80-8
Molecular Formula:
C12H11BrO
Molecular Weight:
251.1191
MDL Number:
MFCD00837561
IUPAC Name:
2-(2-bromoethoxy)naphthalene
InChI:
InChI=1S/C12H11BrO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChI Key:
NKALVESVNGTFHZ-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc2c(c1)cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.123g/mol
Monoisotopic Mass:
249.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Synthesis of novel fluconazoliums and their evaluation for antibacterial and antifungal activities. | European journal of medicinal chemistry 20110901 |
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