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174735-02-5 | Phenanthrene, 3,6-dibromo-
CAS No: 174735-02-5 Catalog No: AG001ZWP MDL No:
Product Description
Catalog Number:
AG001ZWP
Chemical Name:
Phenanthrene, 3,6-dibromo-
CAS Number:
174735-02-5
Molecular Formula:
C14H8Br2
Molecular Weight:
336.0213
IUPAC Name:
3,6-dibromophenanthrene
InChI:
InChI=1S/C14H8Br2/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)13(9)7-11/h1-8H
InChI Key:
XTPMJIMUYNZFFN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1cc(Br)ccc1cc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.897g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.026g/mol
Monoisotopic Mass:
333.899g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| The synthesis of new 60 degrees organometallic subunits and self-assembly of three-dimensional M3L2 trigonal-bipyramidal cages. | The Journal of organic chemistry 20061208 |
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