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137363-47-4 | Pyrene, 1,8-dibromo-2,7-diethyl-4,5,9,10-tetrahydro-
CAS No: 137363-47-4 Catalog No: AG00136N MDL No:
Product Description
Catalog Number:
AG00136N
Chemical Name:
Pyrene, 1,8-dibromo-2,7-diethyl-4,5,9,10-tetrahydro-
CAS Number:
137363-47-4
Molecular Formula:
C20H20Br2
Molecular Weight:
420.1808
IUPAC Name:
1,8-dibromo-2,7-diethyl-4,5,9,10-tetrahydropyrene
InChI:
InChI=1S/C20H20Br2/c1-3-11-9-13-5-6-14-10-12(4-2)20(22)16-8-7-15(19(11)21)17(13)18(14)16/h9-10H,3-8H2,1-2H3
InChI Key:
GQCWIVIWYRYWCJ-UHFFFAOYSA-N
SMILES:
CCc1cc2CCc3c4c2c(c1Br)CCc4c(c(c3)CC)Br
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.991g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.188g/mol
Monoisotopic Mass:
417.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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