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19063-55-9 | 2H-1-Benzopyran-2-one, 6-bromo-
CAS No: 19063-55-9 Catalog No: AG002EPD MDL No:MFCD01327473
Product Description
Catalog Number:
AG002EPD
Chemical Name:
2H-1-Benzopyran-2-one, 6-bromo-
CAS Number:
19063-55-9
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
MDL Number:
MFCD01327473
IUPAC Name:
6-bromochromen-2-one
InChI:
InChI=1S/C9H5BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChI Key:
XXRJDOQENVGLJT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc(=O)o2
NSC Number:
146624
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.041g/mol
Monoisotopic Mass:
223.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 6-arylcoumarins as novel nonsteroidal type progesterone antagonists: an example with receptor-binding-dependent fluorescence. | Journal of medicinal chemistry 20111027 |
| Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1. | Journal of medicinal chemistry 20110113 |
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