Cas no 13332-13-3 (Benzene, 1,2,4-trifluoro-5-iodo-3-methoxy-)
13332-13-3 structure
Product Name:Benzene, 1,2,4-trifluoro-5-iodo-3-methoxy-
CAS No:13332-13-3
MF:C7H4F3IO
MW:288.005744934082
CID:1233038
PubChem ID:85612184
Update Time:2025-04-20
Benzene, 1,2,4-trifluoro-5-iodo-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,4-trifluoro-5-iodo-3-methoxy-
- 1,2,4-Trifluoro-5-iodo-3-methoxybenzene
- DTXSID901280717
- 3-Iodo-2,5,6-trifluoroanisole
- SCHEMBL135396
- 13332-13-3
-
- Inchi： 1S/C7H4F3IO/c1-12-7-5(9)3(8)2-4(11)6(7)10/h2H,1H3
- InChI Key： RUMSSKLEHUCLHC-UHFFFAOYSA-N
- SMILES： IC1=CC(=C(C(=C1F)OC)F)F
Computed Properties
- Exact Mass: 287.92542
- Monoisotopic Mass: 287.92590g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 2.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,2,4-trifluoro-5-iodo-3-methoxy- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
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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