Cas no 52076-44-5 (Benzene, 2-bromo-1-(1-methylethyl)-4-(1-methylpropyl)-)
52076-44-5 structure
Product Name:Benzene, 2-bromo-1-(1-methylethyl)-4-(1-methylpropyl)-
CAS No:52076-44-5
MF:C13H19Br
MW:255.193963289261
CID:1578639
PubChem ID:21492048
Update Time:2025-04-21
Benzene, 2-bromo-1-(1-methylethyl)-4-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-bromo-1-(1-methylethyl)-4-(1-methylpropyl)-
- DTXSID001221348
- 2-Bromo-1-(1-methylethyl)-4-(1-methylpropyl)benzene
- 52076-44-5
-
- Inchi： 1S/C13H19Br/c1-5-10(4)11-6-7-12(9(2)3)13(14)8-11/h6-10H,5H2,1-4H3
- InChI Key： MVDHRQSMXWMYOG-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=CC=1C(C)C)C(C)CC
Computed Properties
- Exact Mass: 254.06707
- Monoisotopic Mass: 254.06701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 165
- 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
- XLogP3: 5.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 2-bromo-1-(1-methylethyl)-4-(1-methylpropyl)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
52076-44-5 (Benzene, 2-bromo-1-(1-methylethyl)-4-(1-methylpropyl)-) Related Products
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