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Home > Nitro Compounds > 866018-60-2
866018-60-2 | 4-(3-{2-methylpyrazolo[1,5-a]pyrimidin-5-yl}-4-nitrophenyl)morpholine
CAS No: 866018-60-2 Catalog No: AG00IPEQ MDL No:MFCD03848533
Product Description
Catalog Number:
AG00IPEQ
Chemical Name:
4-(3-{2-methylpyrazolo[1,5-a]pyrimidin-5-yl}-4-nitrophenyl)morpholine
CAS Number:
866018-60-2
Molecular Formula:
C17H17N5O3
Molecular Weight:
339.3486
MDL Number:
MFCD03848533
IUPAC Name:
4-[3-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-4-nitrophenyl]morpholine
InChI:
InChI=1S/C17H17N5O3/c1-12-10-17-18-15(4-5-21(17)19-12)14-11-13(2-3-16(14)22(23)24)20-6-8-25-9-7-20/h2-5,10-11H,6-9H2,1H3
InChI Key:
ZMUXHDBEHINODQ-UHFFFAOYSA-N
SMILES:
Cc1cc2n(n1)ccc(n2)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.355g/mol
Monoisotopic Mass:
339.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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