Cas no 42239-36-1 (1H-Indazole-1-methanol,5,6-dinitro-)
42239-36-1 structure
Product Name:1H-Indazole-1-methanol,5,6-dinitro-
CAS No:42239-36-1
MF:C8H6N4O5
MW:238.157041072845
CID:334691
PubChem ID:268459
Update Time:2025-04-19
1H-Indazole-1-methanol,5,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-1-methanol,5,6-dinitro-
- NSC108651
- NSC-108651
- DTXSID70962388
- 42239-36-1
- (5,6-dinitro-1h-indazol-1-yl)methanol
-
- Inchi： 1S/C8H6N4O5/c13-4-10-6-2-8(12(16)17)7(11(14)15)1-5(6)3-9-10/h1-3,13H,4H2
- InChI Key： RENVLLDJKISVFJ-UHFFFAOYSA-N
- SMILES： OCN1C2C=C(C(=CC=2C=N1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 238.034
- Monoisotopic Mass: 238.034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 327
- 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: 0.6
- Topological Polar Surface Area: 130?2
Experimental Properties
- Density: 1.86
- Boiling Point: 507.5°Cat760mmHg
- Flash Point: 260.7°C
- Refractive Index: 1.776
1H-Indazole-1-methanol,5,6-dinitro- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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