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15810-15-8 | Phenanthrene, 9,10-dibromo-
CAS No: 15810-15-8 Catalog No: AG001PZL MDL No:
Product Description
Catalog Number:
AG001PZL
Chemical Name:
Phenanthrene, 9,10-dibromo-
CAS Number:
15810-15-8
Molecular Formula:
C14H8Br2
Molecular Weight:
336.0213
IUPAC Name:
9,10-dibromophenanthrene
InChI:
InChI=1S/C14H8Br2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChI Key:
WZVDACBKJRRYBN-UHFFFAOYSA-N
SMILES:
Brc1c(Br)c2ccccc2c2c1cccc2
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 |
|---|---|
| Thermochemical properties and phase behavior of halogenated polycyclic aromatic hydrocarbons. | Environmental toxicology and chemistry 20120301 |
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