Cas no 13295-81-3 ((5-nitrofuran-2-yl)methyl 3-chloropropanoate)
13295-81-3 structure
Product Name:(5-nitrofuran-2-yl)methyl 3-chloropropanoate
CAS No:13295-81-3
MF:C8H8ClNO5
MW:233.605821609497
CID:1231419
PubChem ID:220795
Update Time:2025-04-20
(5-nitrofuran-2-yl)methyl 3-chloropropanoate Chemical and Physical Properties
Names and Identifiers
-
- (5-nitrofuran-2-yl)methyl 3-chloropropanoate
- KST-1A1691
- AR-1A6391
- 3-chloro-propionic acid-(5-nitro-furfuryl ester)
- AC1Q5B0B
- 3-Chlor-propionsaeure-(5-nitro-furfur-2-yl-ester)
- NSC4099
- 3-Chlor-propionsaeure-(5-nitro-furfurylester)
- CTK4B8266
- AG-K-88308
- AC1L59C6
- KST-1A1691; AR-1A6391; 3-chloro-propionic acid-(5-nitro-furfuryl ester); AC1Q5B0B; 3-Chlor-propionsaeure-(5-nitro-furfur-2-yl-ester); NSC4099; 3-Chlor-propionsaeure-(5-nitro-furfurylester); CTK4B8266; AG-K-88308; AC1L59C6;
- NSC-4099
- 13295-81-3
- DTXSID60277776
-
- Inchi: 1S/C8H8ClNO5/c9-4-3-8(11)14-5-6-1-2-7(15-6)10(12)13/h1-2H,3-5H2
- InChI Key: WOHKMXWHZYDNNR-UHFFFAOYSA-N
- SMILES: ClCCC(=O)OCC1=CC=C([N+](=O)[O-])O1
Computed Properties
- Exact Mass: 233.00914
- Monoisotopic Mass: 233.0091000g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- 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: 1.4
- Topological Polar Surface Area: 85.3?2
Experimental Properties
- PSA: 82.58
(5-nitrofuran-2-yl)methyl 3-chloropropanoate Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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