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1590-25-6 | Ethanone, 1-(6-bromo-2-naphthalenyl)-
CAS No: 1590-25-6 Catalog No: AG001R38 MDL No:MFCD00126480
Product Description
Catalog Number:
AG001R38
Chemical Name:
Ethanone, 1-(6-bromo-2-naphthalenyl)-
CAS Number:
1590-25-6
Molecular Formula:
C12H9BrO
Molecular Weight:
249.1033
MDL Number:
MFCD00126480
IUPAC Name:
1-(6-bromonaphthalen-2-yl)ethanone
InChI:
InChI=1S/C12H9BrO/c1-8(14)9-2-3-11-7-12(13)5-4-10(11)6-9/h2-7H,1H3
InChI Key:
UZDOTHVVSQOCJO-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(c2)C(=O)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.107g/mol
Monoisotopic Mass:
247.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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