Cas no 86156-81-2 ( )
structure
Product Name:
CAS No:86156-81-2
MF:C11H13ClO
MW:196.673322439194
CID:991411
PubChem ID:45081756
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 4-butan-2-ylbenzoyl chloride
- Benzoyl chloride, 4-(1-methylpropyl)- (9CI)
- 4-(Butan-2-yl)benzoyl chloride
- SCHEMBL9924444
- DTXSID70664830
- 86156-81-2
- Benzoyl chloride,4-(1-methylpropyl)-(9ci)
- DB-286023
- BENZOYL CHLORIDE, 4-(1-METHYLPROPYL)-
-
-
- Inchi： 1S/C11H13ClO/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
- InChI Key： CIWJDUCJGYWRLN-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)C(C)CC)=O
Computed Properties
- Exact Mass: 196.0654927g/mol
- Monoisotopic Mass: 196.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 171
- 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: 3.9
- Topological Polar Surface Area: 17.1?2
Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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