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Home > Nitro Compounds > 956625-18-6
956625-18-6 | 2-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-3-nitropyridine
CAS No: 956625-18-6 Catalog No: AG00IRCU MDL No:MFCD03617833
Product Description
Catalog Number:
AG00IRCU
Chemical Name:
2-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-3-nitropyridine
CAS Number:
956625-18-6
Molecular Formula:
C13H16N4O2
Molecular Weight:
260.2917
MDL Number:
MFCD03617833
IUPAC Name:
2-(3,5-dimethyl-4-propylpyrazol-1-yl)-3-nitropyridine
InChI:
InChI=1S/C13H16N4O2/c1-4-6-11-9(2)15-16(10(11)3)13-12(17(18)19)7-5-8-14-13/h5,7-8H,4,6H2,1-3H3
InChI Key:
LSMZUMQAGVVVMH-UHFFFAOYSA-N
SMILES:
CCCc1c(C)nn(c1C)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.297g/mol
Monoisotopic Mass:
260.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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