Cas no 39053-77-5 (Hexanoyl chloride, 2-butyl-)
Hexanoyl chloride, 2-butyl- structure
Product Name:Hexanoyl chloride, 2-butyl-
CAS No:39053-77-5
MF:C10H19ClO
MW:190.710262537003
CID:1498655
PubChem ID:20429218
Update Time:2025-04-21
Hexanoyl chloride, 2-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoyl chloride, 2-butyl-
- 2-butylhexanoyl chloride
- SCHEMBL1410657
- HXGZVSNYYXBNIT-UHFFFAOYSA-N
- DB-377023
- DTXSID30606958
- 39053-77-5
-
- Inchi： 1S/C10H19ClO/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3
- InChI Key： HXGZVSNYYXBNIT-UHFFFAOYSA-N
- SMILES： ClC(C(CCCC)CCCC)=O
Computed Properties
- Exact Mass: 190.11257
- Monoisotopic Mass: 190.1124429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Hexanoyl chloride, 2-butyl- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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