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13672-07-6 | 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-
CAS No: 13672-07-6 Catalog No: AG0012AC MDL No:MFCD00089999
Product Description
Catalog Number:
AG0012AC
Chemical Name:
1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-
CAS Number:
13672-07-6
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD00089999
IUPAC Name:
2-bromo-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C10H9BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9H,5-6H2
InChI Key:
AYNCWMIFKFADCZ-UHFFFAOYSA-N
SMILES:
BrC1CCc2c(C1=O)cccc2
EC Number:
237-154-5
NSC Number:
402212
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Cholesterol surrogates incorporating a benzophenone as part of the sterol tetracycle. | The Journal of organic chemistry 20060804 |
| Synthesis of 1-aryl-1H-indazoles via palladium-catalyzed intramolecular amination of aryl halides. | The Journal of organic chemistry 20050121 |
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