Cas no 7497-10-1 (Benzoic acid,3,4-dichloro-, 2,3,4,5,6-pentachlorophenyl ester)
7497-10-1 structure
Product Name:Benzoic acid,3,4-dichloro-, 2,3,4,5,6-pentachlorophenyl ester
CAS No:7497-10-1
MF:C13H3Cl7O2
MW:439.332717180252
CID:574579
PubChem ID:346724
Update Time:2025-04-19
Benzoic acid,3,4-dichloro-, 2,3,4,5,6-pentachlorophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,4-dichloro-, 2,3,4,5,6-pentachlorophenyl ester
- NSC405024; AC1L85N4; NSC-405024; Benzoic acid, 3,4-dichloro-,pentachlorophenyl ester;
- 7497-10-1
- (2,3,4,5,6-pentachlorophenyl) 3,4-dichlorobenzoate
- Benzoic acid, 3,4-dichloro-,pentachlorophenyl ester
- NSC405024
- DTXSID60323868
- NSC-405024
-
- Inchi： 1S/C13H3Cl7O2/c14-5-2-1-4(3-6(5)15)13(21)22-12-10(19)8(17)7(16)9(18)11(12)20/h1-3H
- InChI Key： PUAMOKDPCZWYCF-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=C(C=1OC(C1C=CC(=C(C=1)Cl)Cl)=O)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 435.79559
- Monoisotopic Mass: 435.795273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 394
- 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: 8.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 7.47960
Benzoic acid,3,4-dichloro-, 2,3,4,5,6-pentachlorophenyl ester 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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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