Cas no 86897-37-2 (1-Butoxy-3-chlorobutane)
1-Butoxy-3-chlorobutane structure
Product Name:1-Butoxy-3-chlorobutane
CAS No:86897-37-2
MF:C8H17ClO
MW:164.672981977463
CID:2809613
PubChem ID:13213747
Update Time:2025-04-21
1-Butoxy-3-chlorobutane Chemical and Physical Properties
Names and Identifiers
-
- DTXSID60528553
- 1-BUTOXY-3-CHLOROBUTANE
- 86897-37-2
- 1-Butoxy-3-chlorobutane
-
- Inchi： 1S/C8H17ClO/c1-3-4-6-10-7-5-8(2)9/h8H,3-7H2,1-2H3
- InChI Key： HBAKSTWZHDOWKD-UHFFFAOYSA-N
- SMILES： ClC(C)CCOCCCC
Computed Properties
- Exact Mass: 164.0967929Da
- Monoisotopic Mass: 164.0967929Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 66.3
- 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: 2.7
- Topological Polar Surface Area: 9.2?2
1-Butoxy-3-chlorobutane Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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