Cas no 51488-21-2 (Benzene, 1-chloro-2-(difluoromethyl)-4-isocyanato-)
51488-21-2 structure
Product Name:Benzene, 1-chloro-2-(difluoromethyl)-4-isocyanato-
CAS No:51488-21-2
MF:C8H4ClF2NO
MW:203.573267936707
CID:362188
PubChem ID:21568109
Update Time:2025-04-19
Benzene, 1-chloro-2-(difluoromethyl)-4-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-2-(difluoromethyl)-4-isocyanato-
- 1-chloro-2-(difluoromethyl)-4-isocyanatobenzene
- SCHEMBL11840789
- 51488-21-2
- FSWOXXJXDSTAFM-UHFFFAOYSA-N
- DTXSID60615912
-
- Inchi： 1S/C8H4ClF2NO/c9-7-2-1-5(12-4-13)3-6(7)8(10)11/h1-3,8H
- InChI Key： FSWOXXJXDSTAFM-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=C1C(F)F)N=C=O
Computed Properties
- Exact Mass: 202.99502
- Monoisotopic Mass: 202.9949478g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 218
- 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
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Benzene, 1-chloro-2-(difluoromethyl)-4-isocyanato- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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