Cas no 94331-81-4 (Ethanone,1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)-)
94331-81-4 structure
Product Name:Ethanone,1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)-
CAS No:94331-81-4
MF:C18H15BrN2O5
MW:419.226104021072
CID:817971
PubChem ID:266622
Update Time:2025-04-19
Ethanone,1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)-
- NSC-105344
- 1-(5-Bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)ethan-1-one
- DTXSID90915659
- 94331-81-4
- NSC105344
-
- Inchi： 1S/C18H15BrN2O5/c1-25-17-6-10(15(21(23)24)8-18(17)26-2)5-16(22)13-9-20-14-4-3-11(19)7-12(13)14/h3-4,6-9,20H,5H2,1-2H3
- InChI Key： PJVANYWTZZFVFV-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C(=CN2)C(CC1C=C(C(=CC=1[N+](=O)[O-])OC)OC)=O
Computed Properties
- Exact Mass: 418.01643g/mol
- Monoisotopic Mass: 418.01643g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 528
- 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: 3.8
- Topological Polar Surface Area: 97.1?2
Ethanone,1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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