CAS 128-63-2 | Pyrene, 1,3,6,8-tetrabromo- | CAS Number 128-63-2

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128-63-2 | Pyrene, 1,3,6,8-tetrabromo-

CAS No: 128-63-2 Catalog No: AG000XOL MDL No:MFCD00428682

Product Description

Catalog Number:

AG000XOL

Chemical Name:

Pyrene, 1,3,6,8-tetrabromo-

CAS Number:

128-63-2

Molecular Formula:

C16H6Br4

Molecular Weight:

517.8348

MDL Number:

MFCD00428682

IUPAC Name:

1,3,6,8-tetrabromopyrene

InChI:

InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H

InChI Key:

ZKBKRTZIYOKNRG-UHFFFAOYSA-N

SMILES:

Brc1cc(Br)c2c3c1ccc1c3c(cc2)c(cc1Br)Br

EC Number:

204-900-6

UNII:

6VWU1E395N

Properties

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

517.716g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

517.84g/mol

Monoisotopic Mass:

513.72g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.8

Literature

Title	Journal
Electronic coupling between two cyclometalated ruthenium centers bridged by 1,3,6,8-tetra(2-pyridyl)pyrene (tppyr).	Inorganic chemistry 20100920
1,3,6,8-tetrasubstituted pyrenes: solution-processable materials for application in organic electronics.	Organic letters 20100806