Cas no 4771-11-3 (3,4-Dinitro-1H-indole)
3,4-Dinitro-1H-indole structure
Product Name:3,4-Dinitro-1H-indole
CAS No:4771-11-3
MF:C8H5N3O4
MW:207.143001317978
CID:1029322
PubChem ID:71710964
Update Time:2025-04-20
3,4-Dinitro-1H-indole Chemical and Physical Properties
Names and Identifiers
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- 3,4-Dinitro-1H-indole
- DTXSID30856658
- AKOS022171877
- 4771-11-3
- 3 pound not4-Dinitro-1H-indole
-
- Inchi： 1S/C8H5N3O4/c12-10(13)6-3-1-2-5-8(6)7(4-9-5)11(14)15/h1-4,9H
- InChI Key： YMCZFDBUKXCVOY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CNC2C=CC=C(C=21)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 207.02800565g/mol
- Monoisotopic Mass: 207.02800565g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 1.7
- Topological Polar Surface Area: 107?2
3,4-Dinitro-1H-indole Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
4771-11-3 (3,4-Dinitro-1H-indole) Related Products
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