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1200-96-0 | Pyrimidine, 4,6-dichloro-2-methoxy-5-nitro-
CAS No: 1200-96-0 Catalog No: AG000Q21 MDL No:
Product Description
Catalog Number:
AG000Q21
Chemical Name:
Pyrimidine, 4,6-dichloro-2-methoxy-5-nitro-
CAS Number:
1200-96-0
Molecular Formula:
C5H3Cl2N3O3
Molecular Weight:
224.0016
IUPAC Name:
4,6-dichloro-2-methoxy-5-nitropyrimidine
InChI:
InChI=1S/C5H3Cl2N3O3/c1-13-5-8-3(6)2(10(11)12)4(7)9-5/h1H3
InChI Key:
WWIDJKPDVOCSNP-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)c(c(n1)Cl)[N+](=O)[O-]
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.997g/mol
Monoisotopic Mass:
222.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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