Cas no 6646-63-5 (Methyl 1-hydroxy-6-nitrobenzimidazole-2-carboxylate)
6646-63-5 structure
Product Name:Methyl 1-hydroxy-6-nitrobenzimidazole-2-carboxylate
CAS No:6646-63-5
MF:C9H7N3O5
MW:237.168981790543
CID:883787
PubChem ID:272456
Update Time:2025-04-19
Methyl 1-hydroxy-6-nitrobenzimidazole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 1-hydroxy-6-nitrobenzimidazole-2-carboxylate
- 2-Methoxycarbonyl-5-nitro-benzimidazol-3-oxid
- 5-nitro-3-oxy-1H-benzoimidazole-2-carboxylic acid methyl ester
- AC1L6RTF
- AC1Q20MN
- AG-K-97059
- AR-1J4343
- CTK5C4782
- methyl 1-hydroxy-6-nitro-1h-benzimidazole-2-carboxylate
- NSC116843
- 6646-63-5
- NSC-116843
- DTXSID60297611
-
- Inchi： 1S/C9H7N3O5/c1-17-9(13)8-10-6-3-2-5(12(15)16)4-7(6)11(8)14/h2-4,14H,1H3
- InChI Key： MFXHZFCYHFHYQV-UHFFFAOYSA-N
- SMILES： ON1C(C(=O)OC)=NC2C=CC(=CC1=2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 237.03861
- Monoisotopic Mass: 237.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 331
- 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: 2.1
- Topological Polar Surface Area: 110?2
Experimental Properties
- Density: 1.67
- Boiling Point: 491.5°C at 760 mmHg
- Flash Point: 251.1°C
- Refractive Index: 1.696
- PSA: 107.49
- LogP: 1.81440
Methyl 1-hydroxy-6-nitrobenzimidazole-2-carboxylate 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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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