Cas no 59651-55-7 (Benzenesulfonyl fluoride, 2-isocyanato-)
59651-55-7 structure
Product Name:Benzenesulfonyl fluoride, 2-isocyanato-
CAS No:59651-55-7
MF:C7H4FNO3S
MW:201.174963951111
CID:337932
PubChem ID:20466949
Update Time:2025-04-19
Benzenesulfonyl fluoride, 2-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl fluoride, 2-isocyanato-
- 2-isocyanatobenzenesulfonyl fluoride
- SCHEMBL11044958
- 59651-55-7
- 2-isocyanato-Benzenesulfonyl fluoride
- AMXHXAYTEADATR-UHFFFAOYSA-N
- 2-Isocyanatobenzene-1-sulfonyl fluoride
- DTXSID00607538
- 2-fluorosulphonyl phenyl isocyanate
-
- Inchi： 1S/C7H4FNO3S/c8-13(11,12)7-4-2-1-3-6(7)9-5-10/h1-4H
- InChI Key： AMXHXAYTEADATR-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1N=C=O)(=O)(=O)F
Computed Properties
- Exact Mass: 200.98962
- Monoisotopic Mass: 200.98959233g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 315
- 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: 2.5
- Topological Polar Surface Area: 72?2
Experimental Properties
- PSA: 63.57
Benzenesulfonyl fluoride, 2-isocyanato- Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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