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143877-79-6 | Pyrene, 7-(1,1-dimethylethyl)-1-iodo-
CAS No: 143877-79-6 Catalog No: AG001IIN MDL No:
Product Description
Catalog Number:
AG001IIN
Chemical Name:
Pyrene, 7-(1,1-dimethylethyl)-1-iodo-
CAS Number:
143877-79-6
Molecular Formula:
C20H17I
Molecular Weight:
384.2534
IUPAC Name:
7-tert-butyl-1-iodopyrene
InChI:
InChI=1S/C20H17I/c1-20(2,3)15-10-13-5-4-12-7-9-17(21)16-8-6-14(11-15)18(13)19(12)16/h4-11H,1-3H3
InChI Key:
ODPXEURIXUYULR-UHFFFAOYSA-N
SMILES:
Ic1ccc2c3c1ccc1c3c(cc2)cc(c1)C(C)(C)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.037g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.26g/mol
Monoisotopic Mass:
384.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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