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137059-78-0 | Pyrene, 4-bromo-2,7-bis(1,1-dimethylethyl)-
CAS No: 137059-78-0 Catalog No: AG0012SC MDL No:
Product Description
Catalog Number:
AG0012SC
Chemical Name:
Pyrene, 4-bromo-2,7-bis(1,1-dimethylethyl)-
CAS Number:
137059-78-0
Molecular Formula:
C24H25Br
Molecular Weight:
393.3593
IUPAC Name:
4-bromo-2,7-ditert-butylpyrene
InChI:
InChI=1S/C24H25Br/c1-23(2,3)17-9-14-7-8-15-10-18(24(4,5)6)13-19-20(25)12-16(11-17)21(14)22(15)19/h7-13H,1-6H3
InChI Key:
XWUKXXMOPHRTRY-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(cc3c2c2c1cc(cc2cc3)C(C)(C)C)C(C)(C)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.368g/mol
Monoisotopic Mass:
392.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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