Cas no 115134-60-6 (2-(Bromomethyl)-4-chlorophenyl isothiocyanate)
115134-60-6 structure
Product Name:2-(Bromomethyl)-4-chlorophenyl isothiocyanate
CAS No:115134-60-6
MF:C8H5BrClNS
MW:262.553998708725
CID:2121479
Update Time:2023-08-04
2-(Bromomethyl)-4-chlorophenyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 2-(bromomethyl)-4-chloro-1-isothiocyanatobenzene
- 2-(Bromomethyl)-4-chlorophenyl isothiocyanate
-
- Inchi： 1S/C8H5BrClNS/c9-4-6-3-7(10)1-2-8(6)11-5-12/h1-3H,4H2
- InChI Key： JMGSOEFRCSVDNF-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C=CC=1N=C=S)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 194
- Topological Polar Surface Area: 44.4
2-(Bromomethyl)-4-chlorophenyl isothiocyanate Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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