Cas no 176298-45-6 (1,2-Propanediol, 3,3-dichloro-, (2S)-)
176298-45-6 structure
Product Name:1,2-Propanediol, 3,3-dichloro-, (2S)-
CAS No:176298-45-6
MF:C3H6Cl2O2
MW:144.98453950882
CID:1362887
PubChem ID:71353449
Update Time:2025-04-20
1,2-Propanediol, 3,3-dichloro-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3,3-dichloro-, (2S)-
- (2S)-3,3-dichloropropane-1,2-diol
- DTXSID80778194
- 176298-45-6
- SCHEMBL6579105
-
- Inchi： 1S/C3H6Cl2O2/c4-3(5)2(7)1-6/h2-3,6-7H,1H2/t2-/m0/s1
- InChI Key： YDIWSTGWZCQZGK-REOHCLBHSA-N
- SMILES： ClC([C@H](CO)O)Cl
Computed Properties
- Exact Mass: 143.97458
- Monoisotopic Mass: 143.9744848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 48.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Propanediol, 3,3-dichloro-, (2S)- Related Literature
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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