Cas no 27225-60-1 (1H-Indazole,1-dodecyl-6-nitro-)
27225-60-1 structure
Product Name:1H-Indazole,1-dodecyl-6-nitro-
CAS No:27225-60-1
MF:C19H29N3O2
MW:331.452464818954
CID:282895
PubChem ID:267972
Update Time:2025-04-19
1H-Indazole,1-dodecyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole,1-dodecyl-6-nitro-
- 1-dodecyl-6-nitro-1h-indazole
- AC1L6J9J
- AC1Q1ZQV
- AG-K-05867
- AR-1C2774
- CTK4F9295
- NSC107904
- NSC-107904
- 1-dodecyl-6-nitroindazole
- DTXSID30296136
- 27225-60-1
-
- Inchi： 1S/C19H29N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-21-19-15-18(22(23)24)13-12-17(19)16-20-21/h12-13,15-16H,2-11,14H2,1H3
- InChI Key： MFCYKRGXBQNVAJ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2C=NN(C=2C=1)CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 331.22617
- Monoisotopic Mass: 331.226
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 359
- 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: 7.5
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 1.09
- Boiling Point: 462.1°Cat760mmHg
- Flash Point: 233.3°C
- Refractive Index: 1.56
- PSA: 60.96
1H-Indazole,1-dodecyl-6-nitro- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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