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Home > Nitro Compounds > 89141-64-0
89141-64-0 | Butanamide, 3-methyl-N-(5-nitro-2-thiazolyl)-
CAS No: 89141-64-0 Catalog No: AG003XIN MDL No:
Product Description
Catalog Number:
AG003XIN
Chemical Name:
Butanamide, 3-methyl-N-(5-nitro-2-thiazolyl)-
CAS Number:
89141-64-0
Molecular Formula:
C8H11N3O3S
Molecular Weight:
229.2562
IUPAC Name:
3-methyl-N-(5-nitro-1,3-thiazol-2-yl)butanamide
InChI:
InChI=1S/C8H11N3O3S/c1-5(2)3-6(12)10-8-9-4-7(15-8)11(13)14/h4-5H,3H2,1-2H3,(H,9,10,12)
InChI Key:
BWLCCIHERVQBCS-UHFFFAOYSA-N
SMILES:
CC(CC(=O)Nc1ncc(s1)[N+](=O)[O-])C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.254g/mol
Monoisotopic Mass:
229.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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