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161811-59-2 | 1,4-Naphthalenedione, 2-bromo-8-hydroxy-6-methyl-
CAS No: 161811-59-2 Catalog No: AG001VWJ MDL No:
Product Description
Catalog Number:
AG001VWJ
Chemical Name:
1,4-Naphthalenedione, 2-bromo-8-hydroxy-6-methyl-
CAS Number:
161811-59-2
Molecular Formula:
C11H7BrO3
Molecular Weight:
267.0755
IUPAC Name:
2-bromo-8-hydroxy-6-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C11H7BrO3/c1-5-2-6-8(13)4-7(12)11(15)10(6)9(14)3-5/h2-4,14H,1H3
InChI Key:
JTXZJKMQLWGQLZ-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(c1)C(=O)C=C(C2=O)Br
NSC Number:
660977
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.078g/mol
Monoisotopic Mass:
265.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis of the reported structure of crassiflorone, a naturally occurring quinone isolated from the African ebony Diospyros crassiflora, and regioisomeric pentacyclic furocoumarin naphthoquinones. | Organic & biomolecular chemistry 20110507 |
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