Cas no 6327-67-9 (5-nitro-1H-pyrrole-2-carbaldehyde)
6327-67-9 structure
Product Name:5-nitro-1H-pyrrole-2-carbaldehyde
CAS No:6327-67-9
MF:C5H4N2O3
MW:140.09686088562
CID:1649776
PubChem ID:242170
Update Time:2025-04-21
5-nitro-1H-pyrrole-2-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 5-nitro-1H-pyrrole-2-carbaldehyde
- SCHEMBL6730352
- 2-formyl-5-nitropyrrole
- NSC50365
- DTXSID80287332
- NSC-50365
- 6327-67-9
-
- Inchi： 1S/C5H4N2O3/c8-3-4-1-2-5(6-4)7(9)10/h1-3,6H
- InChI Key： LVXNJVISYFBVQR-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=C(C=O)N1)=O
Computed Properties
- Exact Mass: 140.02222
- Monoisotopic Mass: 140.02219199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 154
- 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: 0.7
- Topological Polar Surface Area: 78.7?2
Experimental Properties
- PSA: 76
5-nitro-1H-pyrrole-2-carbaldehyde Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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