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Home > Nitro Compounds > 30561-09-2
30561-09-2 | Pyrimidine, 2,4-dimethoxy-6-methyl-5-nitro-
CAS No: 30561-09-2 Catalog No: AG0030JD MDL No:MFCD00193976
Product Description
Catalog Number:
AG0030JD
Chemical Name:
Pyrimidine, 2,4-dimethoxy-6-methyl-5-nitro-
CAS Number:
30561-09-2
Molecular Formula:
C7H9N3O4
Molecular Weight:
199.1641
MDL Number:
MFCD00193976
IUPAC Name:
2,4-dimethoxy-6-methyl-5-nitropyrimidine
InChI:
InChI=1S/C7H9N3O4/c1-4-5(10(11)12)6(13-2)9-7(8-4)14-3/h1-3H3
InChI Key:
LYLVLMFQGBVGIE-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(c1[N+](=O)[O-])C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.166g/mol
Monoisotopic Mass:
199.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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