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161126-14-3 | 1,5-Azulenedione, 3,7-dibromo-
CAS No: 161126-14-3 Catalog No: AG001S6L MDL No:
Product Description
Catalog Number:
AG001S6L
Chemical Name:
1,5-Azulenedione, 3,7-dibromo-
CAS Number:
161126-14-3
Molecular Formula:
C10H4Br2O2
Molecular Weight:
315.9456
IUPAC Name:
3,7-dibromoazulene-1,5-dione
InChI:
InChI=1S/C10H4Br2O2/c11-5-1-6(13)3-7-8(2-5)10(14)4-9(7)12/h1-4H
InChI Key:
UCMOTAVPWAJINM-UHFFFAOYSA-N
SMILES:
Brc1cc(=O)cc2c(c1)C(=O)C=C2Br
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.856g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.948g/mol
Monoisotopic Mass:
313.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Effect of tropolone, azulene and azulenequinone derivatives on prostaglandin E2 production by activated macrophage-like cells. | Anticancer research 20090101 |
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