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Home > Nitro Compounds > 1164541-26-7
1164541-26-7 | 2,6-dimethyl-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
CAS No: 1164541-26-7 Catalog No: AG00IMSG MDL No:MFCD00127039
Product Description
Catalog Number:
AG00IMSG
Chemical Name:
2,6-dimethyl-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
CAS Number:
1164541-26-7
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
MDL Number:
MFCD00127039
IUPAC Name:
2,6-dimethyl-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
InChI:
InChI=1S/C14H15N3O3/c1-9-5-4-6-10(2)13(9)15-8-7-12-14(17(18)19)11(3)16-20-12/h4-8,15H,1-3H3/b8-7+
InChI Key:
ZRDMNUZLLAZHRE-BQYQJAHWSA-N
SMILES:
Cc1cccc(c1N/C=C/c1onc(c1[N+](=O)[O-])C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
273.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.292g/mol
Monoisotopic Mass:
273.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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