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7473-74-7 | Ethanone, 2-amino-1-(9-bromo-3-phenanthrenyl)-
CAS No: 7473-74-7 Catalog No: AG005HXH MDL No:
Product Description
Catalog Number:
AG005HXH
Chemical Name:
Ethanone, 2-amino-1-(9-bromo-3-phenanthrenyl)-
CAS Number:
7473-74-7
Molecular Formula:
C16H12BrNO
Molecular Weight:
314.1766
IUPAC Name:
2-amino-1-(9-bromophenanthren-3-yl)ethanone
InChI:
InChI=1S/C16H12BrNO/c17-15-8-10-5-6-11(16(19)9-18)7-14(10)12-3-1-2-4-13(12)15/h1-8H,9,18H2
InChI Key:
CRWATDVLKPSTCE-UHFFFAOYSA-N
SMILES:
NCC(=O)c1ccc2c(c1)c1ccccc1c(c2)Br
NSC Number:
400693
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.182g/mol
Monoisotopic Mass:
313.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening. | Journal of medicinal chemistry 20011206 |
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