Cas no 24171-69-5 ( )
structure
Product Name:
CAS No:24171-69-5
MF:C18H12N4O7
MW:396.310483932495
CID:912934
PubChem ID:231085
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 9H-carbazole,2,4,6-trinitrophenol
- 2,4,6-trinitrophenol- 9h-carbazole(1:1)
- 9H-carbazole
- AC1L5KXJ
- AC1Q1YIQ
- AG-J-90517
- AR-1D3207
- Carbazol, Picrat
- carbazole, picrate
- CTK4F3070
- NSC26649
- DS-006128
- DTXSID30282579
- 24171-69-5
- NSC-26649
-
-
- Inchi： 1S/C12H9N.C6H3N3O7/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8,13H;1-2,10H
- InChI Key： FADRGCWXNPAFBJ-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].N1C2C=CC=CC=2C2C=CC=CC1=2
Computed Properties
- Exact Mass: 396.07066
- Monoisotopic Mass: 396.07059873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 0
- Complexity: 461
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 174?2
Experimental Properties
- PSA: 165.44
- LogP: 6.00750
Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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