Cas no 75853-44-0 (2-Acridinol,9-amino-6-chloro-, dihydrogen phosphate (ester) (9CI))
75853-44-0 structure
Product Name:2-Acridinol,9-amino-6-chloro-, dihydrogen phosphate (ester) (9CI)
CAS No:75853-44-0
MF:C13H10ClN2O4P
MW:324.656262874603
CID:563338
PubChem ID:189844
Update Time:2025-04-19
2-Acridinol,9-amino-6-chloro-, dihydrogen phosphate (ester) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Acridinol,9-amino-6-chloro-, dihydrogen phosphate (ester) (9CI)
- (9-amino-6-chloroacridin-2-yl) dihydrogen phosphate
- 9-amino-6-chloroacridine-2-phosphate
- DTXSID80226761
- SCHEMBL3362000
- 75853-44-0
-
- Inchi： 1S/C13H10ClN2O4P/c14-7-1-3-9-12(5-7)16-11-4-2-8(20-21(17,18)19)6-10(11)13(9)15/h1-6H,(H2,15,16)(H2,17,18,19)
- InChI Key： OWFHEUBYDGJHQL-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)N=C1C=CC(=CC1=C2N)OP(=O)(O)O
Computed Properties
- Exact Mass: 324.007
- Monoisotopic Mass: 324.007
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 434
- 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: 1.8
- Topological Polar Surface Area: 106?2
Experimental Properties
- Density: 1.692
- Boiling Point: 639.5°C at 760 mmHg
- Flash Point: 340.6°C
- Refractive Index: 1.789
- PSA: 116.21000
- LogP: 3.02520
2-Acridinol,9-amino-6-chloro-, dihydrogen phosphate (ester) (9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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