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2-chloroethanesulfinic acid hexadecyl ester
1. Names and Identifiers
- 1.1 Name
- 2-chloroethanesulfinic acid hexadecyl ester
- 1.2 CAS No.
- 39016-30-3
- 1.3 CID
- 22751637
- 1.4 Molecular Formula
- C18H37ClO2S
- 1.5 Inchi
- InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-22(20)18-16-19/h2-18H2,1H3
- 1.6 InChkey
- HZINEDNLYLGGLR-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- CCCCCCCCCCCCCCCCOS(=O)CCCl
- 1.8 Isomers Smiles
- CCCCCCCCCCCCCCCCOS(=O)CCCl
2. Computed Properties
- Molecular Weight：353.0g/mol
- Molecular Formula：C18H37ClO2S
- Compound Is Canonicalized：True
- Exact Mass：8.1
- XLogP3-AA：352.2202793
- Monoisotopic Mass：352.2202793
- Complexity：237
- Rotatable Bond Count：18
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：3
- Topological Polar Surface Area：45.5
- Heavy Atom Count：：22
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：1
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADcfB4MABEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgYAAAAACAOkwEKCAAAAAAIAAAAAAGBAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
3. Realated Product Infomation
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