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84405-44-7 | 2,7-Dibromophenanthrene-9,10-dione
CAS No: 84405-44-7 Catalog No: AG003G6P MDL No:MFCD03931078
Product Description
Catalog Number:
AG003G6P
Chemical Name:
2,7-Dibromophenanthrene-9,10-dione
CAS Number:
84405-44-7
Molecular Formula:
C14H6Br2O2
Molecular Weight:
366.0042
MDL Number:
MFCD03931078
IUPAC Name:
2,7-dibromophenanthrene-9,10-dione
InChI:
InChI=1S/C14H6Br2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H
InChI Key:
LTZIIBSPYWTOQV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)C(=O)c1c2ccc(c1)Br
NSC Number:
102364
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.871g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.008g/mol
Monoisotopic Mass:
363.873g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| 3,9-Dibromo-5,7-dihydro-dibenzo[c,e]oxepine. | Acta crystallographica. Section E, Structure reports online 20080701 |
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