Cas no 109529-98-8 (Benzene,(5-bromo-1,3-pentadien-1-yl)-)
109529-98-8 structure
Product Name:Benzene,(5-bromo-1,3-pentadien-1-yl)-
CAS No:109529-98-8
MF:C11H11Br
MW:223.109042406082
CID:128465
PubChem ID:53426816
Update Time:2025-04-18
Benzene,(5-bromo-1,3-pentadien-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene,(5-bromo-1,3-pentadien-1-yl)-
- ((1E,3E)-5-BROMO-PENTA-1,3-DIENYL)-BENZENE
- 5-bromopenta-1,3-dienylbenzene
- ((1E,3E)-5-bromopenta-1,3-dien-1-yl)benzene
- ((1E,3E)-5-bromopenta-1,3-dienyl)benzene
- 1-bromo-5-phenyl-2,4-pentadiene
- 1-bromo-5-phenylpenta-2,4-diene
- 5-phenyl-2E,4E-pentadienyl bromide
- ACMC-20mcda
- AG-D-26494
- Benzene,(5-bromo-1,3-pentadienyl)- (9CI)
- CTK4A6571
- CTK8G5513
- AKOS017553724
- (5-BROMOPENTA-1,3-DIEN-1-YL)BENZENE
- DTXSID30699365
- 109529-98-8
-
- Inchi： 1S/C11H11Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-9H,10H2
- InChI Key： LRGFTYLEVZIJLF-UHFFFAOYSA-N
- SMILES： BrCC=CC=CC1C=CC=CC=1
Computed Properties
- Exact Mass: 222.00443
- Monoisotopic Mass: 222.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- Topological Polar Surface Area: 0A^2
- XLogP3: 3.8
Experimental Properties
- PSA: 0
- LogP: 3.65090
Benzene,(5-bromo-1,3-pentadien-1-yl)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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