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131222-99-6 | Chrysene, 6,12-dibromo-
CAS No: 131222-99-6 Catalog No: AG000VRL MDL No:MFCD00092281
Product Description
Catalog Number:
AG000VRL
Chemical Name:
Chrysene, 6,12-dibromo-
CAS Number:
131222-99-6
Molecular Formula:
C18H10Br2
Molecular Weight:
386.0800
MDL Number:
MFCD00092281
IUPAC Name:
6,12-dibromochrysene
InChI:
InChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H
InChI Key:
RULVBMDEPWAFIN-UHFFFAOYSA-N
SMILES:
Brc1cc2c3ccccc3c(cc2c2c1cccc2)Br
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.913g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.086g/mol
Monoisotopic Mass:
383.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
Literature
| Title | Journal |
|---|---|
| Thermochemical properties and phase behavior of halogenated polycyclic aromatic hydrocarbons. | Environmental toxicology and chemistry 20120301 |
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