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13162-43-1 | Pyrimidine, 4,6-dichloro-2-methyl-5-nitro-
CAS No: 13162-43-1 Catalog No: AG000ZIZ MDL No:MFCD00060527
Product Description
Catalog Number:
AG000ZIZ
Chemical Name:
Pyrimidine, 4,6-dichloro-2-methyl-5-nitro-
CAS Number:
13162-43-1
Molecular Formula:
C5H3Cl2N3O2
Molecular Weight:
208.0022
MDL Number:
MFCD00060527
IUPAC Name:
4,6-dichloro-2-methyl-5-nitropyrimidine
InChI:
InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3
InChI Key:
OPXGPTXSLFZVCA-UHFFFAOYSA-N
SMILES:
Clc1nc(C)nc(c1[N+](=O)[O-])Cl
EC Number:
236-105-5
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.998g/mol
Monoisotopic Mass:
206.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Parallel solution-phase synthesis of a 2,6,8,9-tetrasubstituted purine library via a sulfur intermediate. | Journal of combinatorial chemistry 20050101 |
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