Home Halogens 1,6-Diisopropyl-3,8-dibromopyrene

1,6-Diisopropyl-3,8-dibromopyrene

CAS No.:
869340-02-3
Catalog Number:
AG00H1I9
Molecular Formula:
C22H20Br2
Molecular Weight:
444.2022
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Product Description
Catalog Number:
AG00H1I9
Chemical Name:
1,6-Diisopropyl-3,8-dibromopyrene
CAS Number:
869340-02-3
Molecular Formula:
C22H20Br2
Molecular Weight:
444.2022
MDL Number:
MFCD27979119
IUPAC Name:
1,6-dibromo-3,8-di(propan-2-yl)pyrene
InChI:
InChI=1S/C22H20Br2/c1-11(2)17-9-19(23)15-8-6-14-18(12(3)4)10-20(24)16-7-5-13(17)21(15)22(14)16/h5-12H,1-4H3
InChI Key:
NNVZVNMCMRPEND-UHFFFAOYSA-N
SMILES:
CC(c1cc(Br)c2c3c1ccc1c3c(cc2)c(cc1Br)C(C)C)C
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.991g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.21g/mol
Monoisotopic Mass:
441.993g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7  
Properties