Cas no 26477-33-8 (1H-Pyrrole, 2-methyl-5-nitro-)
1H-Pyrrole, 2-methyl-5-nitro- structure
Product Name:1H-Pyrrole, 2-methyl-5-nitro-
CAS No:26477-33-8
MF:C5H6N2O2
MW:126.113340854645
CID:3925316
PubChem ID:21819949
Update Time:2025-04-22
1H-Pyrrole, 2-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 2-methyl-5-nitro-
- SCHEMBL12778743
- 26477-33-8
-
- Inchi: 1S/C5H6N2O2/c1-4-2-3-5(6-4)7(8)9/h2-3,6H,1H3
- InChI Key: RAGNYUFRPWEHQE-UHFFFAOYSA-N
- SMILES: N1C([N+]([O-])=O)=CC=C1C
Computed Properties
- Exact Mass: 126.042927438Da
- Monoisotopic Mass: 126.042927438Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 121
- 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: 1.3
- Topological Polar Surface Area: 61.6?2
1H-Pyrrole, 2-methyl-5-nitro- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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