1. Introduction of6,12-Dibromochrysene The 6,12-Dibromochrysene, with its CAS NO131222-99-6, is a kind of white powder. It has …
1. Introduction of 6,12-Dibromochrysene
The 6,12-Dibromochrysene, with its CAS NO 131222-99-6, is a kind of white powder. It has synonyms of Dibromochrysene. 6,12-Dibromochrysene should be stored in shady and cool warehouse.
2. Properties of 6,12-Dibromochrysene
(1) XLogP3-AA 7.1 (2) Exact Mass 385.912878 (3) MonoIsotopic Mass 383.914925
(4) Topological Polar Surface Area 0 (5) Heavy Atom Count 20 (6) Complexity 321
(7) Covalently-Bonded Unit Count 1 (8) Feature 3D Hydrophobe Count 2 (9) Feature 3D Ring Count 4
(10) Conformer Sampling RMSD 0.6 (11) CID Conformer Count 1
3. Structure descriptors of 6,12-Dibromochrysene
IUPAC Name: 6,12-dibromochrysene
InChI: InChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-
7-13(11)17/h1-10H
InChIKey: RULVBMDEPWAFIN-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=CC3=C2C=C(C4=CC=CC=C43)Br)Br
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