Cas no 77455-54-0 ([acetyloxy-(2-chloro-4-nitrophenyl)methyl] Acetate)
![[acetyloxy-(2-chloro-4-nitrophenyl)methyl] Acetate structure](https://ossimg.kuujia.com/scimg/77500/77455-54-0x500.png)
77455-54-0 structure
Product Name:[acetyloxy-(2-chloro-4-nitrophenyl)methyl] Acetate
CAS No:77455-54-0
MF:C11H10ClNO6
MW:287.653202533722
CID:882936
PubChem ID:278165
Update Time:2025-04-19
[acetyloxy-(2-chloro-4-nitrophenyl)methyl] Acetate Chemical and Physical Properties
Names and Identifiers
-
- [acetyloxy-(2-chloro-4-nitrophenyl)methyl] Acetate
- (2-chloro-4-nitrophenyl)methanediyl diacetate
- 2-chloro-4-nitrobenzal diacetate
- AC1L5NHS
- AC1Q3M58
- AG-J-12576
- AR-1A2196
- CTK5E4490
- KST-1A8233
- NSC127468
- DTXSID80299011
- NSC-127468
- 77455-54-0
- SCHEMBL14267713
-
- Inchi： 1S/C11H10ClNO6/c1-6(14)18-11(19-7(2)15)9-4-3-8(13(16)17)5-10(9)12/h3-5,11H,1-2H3
- InChI Key： OCRFFMYKJSYNEW-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(OC(C)=O)OC(C)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 287.0197
- Monoisotopic Mass: 287.0196647g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 353
- 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: 2.1
- Topological Polar Surface Area: 98.4?2
Experimental Properties
- PSA: 95.74
- LogP: 2.89620
[acetyloxy-(2-chloro-4-nitrophenyl)methyl] Acetate Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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