Cas no 1001328-46-6 (1-Bromo-2-(1,3-dimethylbutyl)benzene)
1001328-46-6 structure
Product Name:1-Bromo-2-(1,3-dimethylbutyl)benzene
CAS No:1001328-46-6
MF:C12H17Br
MW:241.167382955551
CID:2860722
Update Time:2023-08-10
1-Bromo-2-(1,3-dimethylbutyl)benzene Chemical and Physical Properties
Names and Identifiers
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- 1-Bromo-2-(1,3-dimethylbutyl)benzene
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- Inchi： 1S/C12H17Br/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h4-7,9-10H,8H2,1-3H3
- InChI Key： HXFBJTXVCMZVJB-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C(C)CC(C)C
Computed Properties
- Exact Mass: 240.05136g/mol
- Monoisotopic Mass: 240.05136g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 241.17g/mol
- XLogP3: 5.1
- Topological Polar Surface Area: 0
1-Bromo-2-(1,3-dimethylbutyl)benzene Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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