Cas no 16932-25-5 (Benzenemethanol, 4-chloro-, 1-propanoate)
16932-25-5 structure
Product Name:Benzenemethanol, 4-chloro-, 1-propanoate
CAS No:16932-25-5
MF:C10H11ClO2
MW:198.646142244339
CID:235135
PubChem ID:346381
Update Time:2025-04-19
Benzenemethanol, 4-chloro-, 1-propanoate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 4-chloro-, 1-propanoate
- (4-chlorophenyl)methyl propanoate
- SCHEMBL1709750
- NSC404611
- NSC-404611
- 16932-25-5
- DTXSID80937623
-
- Inchi： 1S/C10H11ClO2/c1-2-10(12)13-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
- InChI Key： RFUPQAPIXZXSRH-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)COC(CC)=O
Computed Properties
- Exact Mass: 198.04483
- Monoisotopic Mass: 198.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 162
- 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: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.163
- Boiling Point: 255.5°Cat760mmHg
- Flash Point: 116.2°C
- Refractive Index: 1.518
- PSA: 26.3
Benzenemethanol, 4-chloro-, 1-propanoate Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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