Cas no 908334-03-2 ( )
structure
Product Name:
CAS No:908334-03-2
MF:C12H13BrO2
MW:269.134423017502
CID:869491
PubChem ID:45158896
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 6-Bromo-1,1-(propylenedioxo)-indane
- 908334-03-2
-
-
- Inchi： 1S/C12H13BrO2/c13-10-3-2-9-4-5-12(11(9)8-10)14-6-1-7-15-12/h2-3,8H,1,4-7H2
- InChI Key： ADWMRXMGQRSCDB-UHFFFAOYSA-N
- SMILES： BrC1C=CC2CCC3(C=2C=1)OCCCO3
Computed Properties
- Exact Mass: 268.01000
- Monoisotopic Mass: 268.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 238
- 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: 2.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46000
- LogP: 2.98500
Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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