Cas no 2731-00-2 (1H-Indole,1-methyl-3-(2-nitroethenyl)-)
2731-00-2 structure
Product Name:1H-Indole,1-methyl-3-(2-nitroethenyl)-
CAS No:2731-00-2
MF:C11H10N2O2
MW:202.209302425385
CID:280790
PubChem ID:1551121
Update Time:2025-04-19
1H-Indole,1-methyl-3-(2-nitroethenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole,1-methyl-3-(2-nitroethenyl)-
- NSC106246
- NSC-106246
- 2731-00-2
- 1-methyl-3-[(Z)-2-nitroethenyl]indole
-
- Inchi： 1S/C11H10N2O2/c1-12-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12/h2-8H,1H3/b7-6-
- InChI Key： RZJUMQWTXIXIMY-SREVYHEPSA-N
- SMILES： [O-][N+](/C=C\C1=CN(C)C2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 202.0743
- Monoisotopic Mass: 202.074228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 50.8
- XLogP3: 2.3
Experimental Properties
- Density: 1.2
- Boiling Point: 386.6°Cat760mmHg
- Flash Point: 187.6°C
- Refractive Index: 1.601
- PSA: 48.07
- LogP: 2.94890
1H-Indole,1-methyl-3-(2-nitroethenyl)- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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