Cas no 908334-01-0 ( )
structure
Product Name:
CAS No:908334-01-0
MF:C13H15BrO2
MW:283.161003351212
CID:868634
PubChem ID:45158893
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-Bromo-7-methyl-1,1-(propylenedioxo)-indane
- 908334-01-0
-
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- Inchi： 1S/C13H15BrO2/c1-9-3-4-11(14)10-5-6-13(12(9)10)15-7-2-8-16-13/h3-4H,2,5-8H2,1H3
- InChI Key： KMTMBDIJDWFGOP-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C)C2=C1CCC12OCCCO1
Computed Properties
- Exact Mass: 282.02600
- Monoisotopic Mass: 282.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 263
- 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
- Topological Polar Surface Area: 18.5A^2
- XLogP3: 3
Experimental Properties
- PSA: 18.46000
- LogP: 3.29340
Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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