Cas no 2381-13-7 ( )
structure
Product Name:
CAS No:2381-13-7
MF:C19H14ClN
MW:291.774163722992
CID:912775
PubChem ID:351591
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 9-chloro-5,6-dimethylbenzo[c]acridine
- 9-Chlor-5,6-dimethyl-benz[c]acridin
- 9-chloro-5,6-dimethyl-benz[c]acridine
- AC1L6YM8
- NSC522260
- 2381-13-7
- NSC-522260
- DTXSID80325965
-
-
- Inchi： 1S/C19H14ClN/c1-11-12(2)17-10-13-9-14(20)7-8-18(13)21-19(17)16-6-4-3-5-15(11)16/h3-10H,1-2H3
- InChI Key： QKRYQKRGQCQHBK-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C=C1C(C3C=CC=CC=3C(C)=C1C)=N2
Computed Properties
- Exact Mass: 291.08162
- Monoisotopic Mass: 291.081477
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 384
- 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
- Topological Polar Surface Area: 12.9
- XLogP3: 6.1
Experimental Properties
- Density: 1.271
- Boiling Point: 501.4°C at 760 mmHg
- Flash Point: 288.7°C
- Refractive Index: 1.738
- PSA: 12.89
- LogP: 5.81140
Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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