Cas no 89876-48-2 (Propanoic acid, 2,3-dichloro-, hexyl ester)
89876-48-2 structure
Product Name:Propanoic acid, 2,3-dichloro-, hexyl ester
CAS No:89876-48-2
MF:C9H16Cl2O2
MW:227.128141403198
CID:586256
PubChem ID:527715
Update Time:2025-04-19
Propanoic acid, 2,3-dichloro-, hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,3-dichloro-, hexyl ester
- hexyl 2,3-dichloropropanoate
- DURNFAFSEXFKKI-UHFFFAOYSA-N
- 89876-48-2
- DTXSID70335891
-
- Inchi： 1S/C9H16Cl2O2/c1-2-3-4-5-6-13-9(12)8(11)7-10/h8H,2-7H2,1H3
- InChI Key： DURNFAFSEXFKKI-UHFFFAOYSA-N
- SMILES： ClC(CCl)C(=O)OCCCCCC
Computed Properties
- Exact Mass: 226.0527351g/mol
- Monoisotopic Mass: 226.0527351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 2,3-dichloro-, hexyl ester Related Literature
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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