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Home > Nitro Compounds > 1164541-49-4
1164541-49-4 | 3-methyl-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
CAS No: 1164541-49-4 Catalog No: AG00IMSN MDL No:MFCD00127021
Product Description
Catalog Number:
AG00IMSN
Chemical Name:
3-methyl-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
CAS Number:
1164541-49-4
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD00127021
IUPAC Name:
3-methyl-N-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]aniline
InChI:
InChI=1S/C13H13N3O3/c1-9-4-3-5-11(8-9)14-7-6-12-13(16(17)18)10(2)15-19-12/h3-8,14H,1-2H3/b7-6+
InChI Key:
ZCDZBHJMKUNNAN-VOTSOKGWSA-N
SMILES:
Cc1cccc(c1)N/C=C/c1onc(c1[N+](=O)[O-])C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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