Cas no 113776-21-9 (Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (S)-)
![Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (S)- structure](https://ossimg.kuujia.com/scimg/114000/113776-21-9x500.png)
113776-21-9 structure
Product Name:Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (S)-
CAS No:113776-21-9
MF:C16H12ClNO5
MW:333.723183631897
CID:1201962
PubChem ID:13309797
Update Time:2025-04-20
Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (S)-
- SCHEMBL2032163
- M9N0Y0F88B
- (2S)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
- UNII-M9N0Y0F88B
- (-)-fenoxaprop
- 113776-21-9
- DTXSID801331109
- Q27283729
- (S)-Fenoxaprop
- Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (2S)-
- Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, (S)-
- Fenoxaprop, (-)-
-
- Inchi： 1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)/t9-/m0/s1
- InChI Key： MPPOHAUSNPTFAJ-VIFPVBQESA-N
- SMILES： ClC1C=CC2=C(C=1)OC(=N2)OC1C=CC(=CC=1)O[C@H](C(=O)O)C
Computed Properties
- Exact Mass: 333.04046
- Monoisotopic Mass: 333.0404002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 415
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 81.8?2
Experimental Properties
- PSA: 81.79
Propanoic acid, 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, (S)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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