Cas no 17017-03-7 (Anthracene,2-isocyanato-)
Anthracene,2-isocyanato- structure
Product Name:Anthracene,2-isocyanato-
CAS No:17017-03-7
MF:C15H9NO
MW:219.238063573837
CID:205352
PubChem ID:3014959
Update Time:2025-04-19
Anthracene,2-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Anthracene,2-isocyanato-
- 2-isocyanatoanthracene
- Isocyanic acid, 2-anthryl ester
- SCHEMBL3714131
- Anthracene, 2-isocyanato-
- 2-Anthryl isocayanate
- 17017-03-7
- DTXSID20168813
-
- Inchi： 1S/C15H9NO/c17-10-16-15-6-5-13-7-11-3-1-2-4-12(11)8-14(13)9-15/h1-9H
- InChI Key： BAPCPEHKRFAZAL-UHFFFAOYSA-N
- SMILES： O=C=NC1C=CC2=CC3C=CC=CC=3C=C2C=1
Computed Properties
- Exact Mass: 219.06847
- Monoisotopic Mass: 219.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 5
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- Density: 1.15
- Boiling Point: 386.1°Cat760mmHg
- Flash Point: 143.9°C
- Refractive Index: 1.631
- PSA: 29.43
Anthracene,2-isocyanato- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
17017-03-7 (Anthracene,2-isocyanato-) Related Products
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