Cas no 107586-82-3 (Formamide,N-(4-nitro-7-benzothiazolyl)-(9CI))
107586-82-3 structure
Product Name:Formamide,N-(4-nitro-7-benzothiazolyl)-(9CI)
CAS No:107586-82-3
MF:C8H5N3O3S
MW:223.208599805832
CID:127608
PubChem ID:13741039
Update Time:2025-04-18
Formamide,N-(4-nitro-7-benzothiazolyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Formamide,N-(4-nitro-7-benzothiazolyl)-(9CI)
- 107586-82-3
- N-(4-Nitro-1,3-benzothiazol-7-yl)formamide
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- Inchi： 1S/C8H5N3O3S/c12-3-9-5-1-2-6(11(13)14)7-8(5)15-4-10-7/h1-4H,(H,9,12)
- InChI Key： UJLPDAVSLARBOL-UHFFFAOYSA-N
- SMILES： S1C=NC2C(=CC=C(C1=2)NC=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 223.00516220g/mol
- Monoisotopic Mass: 223.00516220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 270
- 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: 1.4
- Topological Polar Surface Area: 116?2
Formamide,N-(4-nitro-7-benzothiazolyl)-(9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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