Cas no 26404-20-6 (Acetic acid, chlorooxo-, 1-methylethyl ester)
26404-20-6 structure
Product Name:Acetic acid, chlorooxo-, 1-methylethyl ester
CAS No:26404-20-6
MF:C5H7ClO3
MW:150.560281038284
CID:1430561
PubChem ID:11355577
Update Time:2025-04-20
Acetic acid, chlorooxo-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, chlorooxo-, 1-methylethyl ester
- Acetic acid, 2-chloro-2-oxo-, 1-methylethyl ester
- CS-0164313
- propan-2-yl 2-chloro-2-oxoacetate
- E73754
- 26404-20-6
- APGNIJXHGYDYLS-UHFFFAOYSA-N
- Isopropyl chloro(oxo)acetate
- isopropyl 2-chloro-2-oxoacetate
- SCHEMBL834672
- Chloro-oxo-acetic Acid Isopropyl Ester
- isopropyl 2-chloro-2-oxoacetate? (Afatinib Impurity pound(c)
-
- Inchi： 1S/C5H7ClO3/c1-3(2)9-5(8)4(6)7/h3H,1-2H3
- InChI Key： APGNIJXHGYDYLS-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OC(C)C)=O
Computed Properties
- Exact Mass: 150.00841
- Monoisotopic Mass: 150.0083718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 130
- 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: 1.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Acetic acid, chlorooxo-, 1-methylethyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
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
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
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