Cas no 832102-47-3 (1H-Benzimidazole-1-propanol, 2-methyl-5-nitro-)
832102-47-3 structure
Product Name:1H-Benzimidazole-1-propanol, 2-methyl-5-nitro-
CAS No:832102-47-3
MF:C11H13N3O3
MW:235.239222288132
CID:676424
PubChem ID:69713708
Update Time:2025-04-19
1H-Benzimidazole-1-propanol, 2-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-1-propanol, 2-methyl-5-nitro-
- 3-(2-methyl-5-nitrobenzimidazol-1-yl)propan-1-ol
- 832102-47-3
- SCHEMBL6231609
- DTXSID80741141
- 3-(2-Methyl-5-nitro-1H-benzimidazol-1-yl)propan-1-ol
-
- Inchi： 1S/C11H13N3O3/c1-8-12-10-7-9(14(16)17)3-4-11(10)13(8)5-2-6-15/h3-4,7,15H,2,5-6H2,1H3
- InChI Key： QYVBGTDPRZABMI-UHFFFAOYSA-N
- SMILES： OCCCN1C(C)=NC2C=C(C=CC1=2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 235.09569129g/mol
- Monoisotopic Mass: 235.09569129g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 282
- 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: 83.9?2
1H-Benzimidazole-1-propanol, 2-methyl-5-nitro- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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