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7321-27-9 | 2-Bromoanthracene
CAS No: 7321-27-9 Catalog No: AG003363 MDL No:MFCD07784002
Product Description
Catalog Number:
AG003363
Chemical Name:
2-Bromoanthracene
CAS Number:
7321-27-9
Molecular Formula:
C14H9Br
Molecular Weight:
257.1253
MDL Number:
MFCD07784002
IUPAC Name:
2-bromoanthracene
InChI:
InChI=1S/C14H9Br/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChI Key:
PYXBCVWIECUMDW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc1c(c2)cccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.13g/mol
Monoisotopic Mass:
255.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Thermochemical properties and phase behavior of halogenated polycyclic aromatic hydrocarbons. | Environmental toxicology and chemistry 20120301 |
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