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Home > Nitro Compounds > 181801-29-6
181801-29-6 | Pyrimidine, 2-(4-nitrophenoxy)-
CAS No: 181801-29-6 Catalog No: AG00233X MDL No:MFCD00847151
Product Description
Catalog Number:
AG00233X
Chemical Name:
Pyrimidine, 2-(4-nitrophenoxy)-
CAS Number:
181801-29-6
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
MDL Number:
MFCD00847151
IUPAC Name:
2-(4-nitrophenoxy)pyrimidine
InChI:
InChI=1S/C10H7N3O3/c14-13(15)8-2-4-9(5-3-8)16-10-11-6-1-7-12-10/h1-7H
InChI Key:
VLNVCMOMPHXWLG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ncccn1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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