Cas no 153355-48-7 (2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate)
153355-48-7 structure
Product Name:2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate
CAS No:153355-48-7
MF:C4H9Cl3O2
MW:195.472059011459
CID:2779117
Update Time:2023-08-07
2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate
- 1,1,1-Trichloro-2-methyl-2-propanol hydrate
- 1,1,1-Trichloro-2-methyl-propanol hydrat
- chlorobutanol hydrate
- Chlorobutanol, hydrous
- 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
- 1, 1, 1-trichloro-2-methyl-2-propanol hydrate
- Chlorobutanol,(S)
- C4H7Cl3O.H2O
- 7234AF
- 1,1,1-trichloro-2-methyl-propanol hydrate
- 1,1,1-trichloro-2-methyl-2propanol hemihydrate
- 001T645
- 10716
-
- Inchi： 1S/C4H7Cl3O.H2O/c1-3(2,8)4(5,6)7;/h8H,1-2H3;1H2
- InChI Key： OTDYCLGDCIBOKV-UHFFFAOYSA-N
- SMILES： ClC(C(C)(C)O)(Cl)Cl.O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 83.8
- Topological Polar Surface Area: 21.2
2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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