Cas no 149144-06-9 (BENZENE, 1-CHLORO-2,3-DIFLUORO-5-ISOTHIOCYANATO-)
149144-06-9 structure
Product Name:BENZENE, 1-CHLORO-2,3-DIFLUORO-5-ISOTHIOCYANATO-
CAS No:149144-06-9
MF:C7H2ClF2NS
MW:205.612286090851
CID:3368430
PubChem ID:85693907
Update Time:2025-04-21
BENZENE, 1-CHLORO-2,3-DIFLUORO-5-ISOTHIOCYANATO- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1-CHLORO-2,3-DIFLUORO-5-ISOTHIOCYANATO-
- DTXSID901251548
- 1-chloro-2,3-difluoro-5-isothiocyanatobenzene
- 149144-06-9
-
- Inchi： 1S/C7H2ClF2NS/c8-5-1-4(11-3-12)2-6(9)7(5)10/h1-2H
- InChI Key： ZEXDCVJRUMIXBJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(=C1)N=C=S)F)F
Computed Properties
- Exact Mass: 204.9564543Da
- Monoisotopic Mass: 204.9564543Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 208
- 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: 4.2
- Topological Polar Surface Area: 44.5?2
BENZENE, 1-CHLORO-2,3-DIFLUORO-5-ISOTHIOCYANATO- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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