Cas no 6941-80-6 ( )
structure
Product Name:
CAS No:6941-80-6
MF:C10H11NO5
MW:225.198043107986
CID:973698
PubChem ID:228283
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-nitrophenoxy)ethyl acetate
- [2-(4-Nitro-phenoxy)-aethyl]-acetat
- 1-Acetoxy-2-(4-nitro-phenoxy)-aethan
- 1-acetoxy-2-(4-nitro-phenoxy)-ethane
- 2-(p-Nitrophenoxy)-ethylacetat
- AC1L5G40
- AC1Q1ZNX
- AG-J-02368
- AR-1C8067
- CTK5C9773
- Essigsaeure-[2-(4-nitro-phenoxy)-aethylester]
- NSC21070
- 6941-80-6
- NSC-21070
- GWMKUZOZXKQDFF-UHFFFAOYSA-N
- DTXSID60281277
- SCHEMBL12275335
- Acetic acid, 2-(4-nitrophenoxy)ethyl ester
-
-
- Inchi： 1S/C10H11NO5/c1-8(12)15-6-7-16-10-4-2-9(3-5-10)11(13)14/h2-5H,6-7H2,1H3
- InChI Key： GWMKUZOZXKQDFF-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])CCOC(C)=O
Computed Properties
- Exact Mass: 225.06373
- Monoisotopic Mass: 225.06372245g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 242
- 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: 1.6
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 78.67
- LogP: 2.05990
Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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