Cas no 67326-20-9 (Benzoic acid, 3-(chlorocarbonyl)-, ethyl ester)
67326-20-9 structure
Product Name:Benzoic acid, 3-(chlorocarbonyl)-, ethyl ester
CAS No:67326-20-9
MF:C10H9ClO3
MW:212.629662275314
CID:394995
PubChem ID:14739653
Update Time:2025-04-19
Benzoic acid, 3-(chlorocarbonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(chlorocarbonyl)-, ethyl ester
- ethyl 3-carbonochloridoylbenzoate
- 3-ethoxycarbonylbenzoyl chloride
- CS-0356879
- Ethyl 3-(chlorocarbonyl)benzoate
- Isophthalic acid monochloride, ethyl ester
- 67326-20-9
- SCHEMBL7126627
- DTXSID60563464
-
- Inchi： 1S/C10H9ClO3/c1-2-14-10(13)8-5-3-4-7(6-8)9(11)12/h3-6H,2H2,1H3
- InChI Key： ROEAQGOTHCMVBK-UHFFFAOYSA-N
- SMILES： ClC(C1=CC=CC(C(=O)OCC)=C1)=O
Computed Properties
- Exact Mass: 212.02407
- Monoisotopic Mass: 212.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 227
- 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: 3.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 3-(chlorocarbonyl)-, ethyl ester Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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