Cas no 7377-05-1 (Benzoic acid,4-(5-chloropentyl)-)
7377-05-1 structure
Product Name:Benzoic acid,4-(5-chloropentyl)-
CAS No:7377-05-1
MF:C12H15ClO2
MW:226.699302911758
CID:576392
PubChem ID:309491
Update Time:2025-04-19
Benzoic acid,4-(5-chloropentyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(5-chloropentyl)-
- 4-(5-chloropentyl)benzoic acid
- NSC211779
- NSC-211779
- DTXSID00309328
- 7377-05-1
-
- Inchi： 1S/C12H15ClO2/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15/h5-8H,1-4,9H2,(H,14,15)
- InChI Key： YONFFQJILOKLFI-UHFFFAOYSA-N
- SMILES： ClCCCCCC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 226.07615
- Monoisotopic Mass: 226.0760574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 186
- 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: 37.3?2
Experimental Properties
- PSA: 37.3
Benzoic acid,4-(5-chloropentyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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