Cas no 94133-65-0 (9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester)
94133-65-0 structure
Product Name:9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester
CAS No:94133-65-0
MF:C17H9Cl2F3O2
MW:373.153373479843
CID:817456
PubChem ID:44148886
Update Time:2025-04-19
9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester
- methyl 1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylate
- methyl 1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carboxylate
- RMS9L2C68R
- 94133-65-0
- DTXSID30240674
- 9-Phenanthrenecarboxylic acid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester 9-Phenanthrenecarboxylic acid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester
- NS00040098
- Methyl 1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenecarboxylate
- EINECS 302-727-1
-
- Inchi: 1S/C17H9Cl2F3O2/c1-24-16(23)14-7-13-12(5-9(18)6-15(13)19)11-4-8(17(20,21)22)2-3-10(11)14/h2-7H,1H3
- InChI Key: AIKJZSWXLMBBJK-UHFFFAOYSA-N
- SMILES: ClC1=CC(=CC2C1=CC(C(=O)OC)=C1C=CC(C(F)(F)F)=CC1=2)Cl
Computed Properties
- Exact Mass: 371.9931694g/mol
- Monoisotopic Mass: 371.9931694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 485
- 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: 6.4
- Topological Polar Surface Area: 26.3?2
9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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