Cas no 59489-27-9 (2,6-Dimethylbenzoyl isocyanate)
59489-27-9 structure
Product Name:2,6-Dimethylbenzoyl isocyanate
CAS No:59489-27-9
MF:C10H9NO2
MW:175.183962583542
CID:2834224
PubChem ID:20132539
Update Time:2025-04-21
2,6-Dimethylbenzoyl isocyanate Chemical and Physical Properties
Names and Identifiers
-
- RLUOXZMNUZLBMX-UHFFFAOYSA-N
- DTXSID10602796
- 2,6-Dimethylbenzoyl isocyanate
- SCHEMBL10637292
- 59489-27-9
-
- Inchi： 1S/C10H9NO2/c1-7-4-3-5-8(2)9(7)10(13)11-6-12/h3-5H,1-2H3
- InChI Key： RLUOXZMNUZLBMX-UHFFFAOYSA-N
- SMILES： O=C(C1C(C)=CC=CC=1C)N=C=O
Computed Properties
- Exact Mass: 175.063328530Da
- Monoisotopic Mass: 175.063328530Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 233
- 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: 3.4
- Topological Polar Surface Area: 46.5?2
2,6-Dimethylbenzoyl isocyanate Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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