Cas no 20870-38-6 (Naphthalene, 1,5-dibromo-3,7-bis(1,1-dimethylethyl)-)
20870-38-6 structure
Product Name:Naphthalene, 1,5-dibromo-3,7-bis(1,1-dimethylethyl)-
CAS No:20870-38-6
MF:C18H22Br2
MW:398.175283908844
CID:1396614
PubChem ID:3106284
Update Time:2025-04-20
Naphthalene, 1,5-dibromo-3,7-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 1,5-dibromo-3,7-bis(1,1-dimethylethyl)-
- 1,5-Dibromo-3,7-bis(1,1-dimethylethyl)naphthalene
- DTXSID501234431
- SCHEMBL4151318
- 20870-38-6
-
- Inchi： 1S/C18H22Br2/c1-17(2,3)11-7-13-14(15(19)9-11)8-12(10-16(13)20)18(4,5)6/h7-10H,1-6H3
- InChI Key： TUVFNVZTFJROFS-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC2C(=CC(=CC=21)C(C)(C)C)Br)C(C)(C)C
Computed Properties
- Exact Mass: 396.00886
- Monoisotopic Mass: 396.00883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 302
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Naphthalene, 1,5-dibromo-3,7-bis(1,1-dimethylethyl)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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