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Home > Nitro Compounds > 15846-14-7
15846-14-7 | Pyrimidine, 4,6-dimethoxy-5-nitro-
CAS No: 15846-14-7 Catalog No: AG001Q7T MDL No:MFCD00129731
Product Description
Catalog Number:
AG001Q7T
Chemical Name:
Pyrimidine, 4,6-dimethoxy-5-nitro-
CAS Number:
15846-14-7
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD00129731
IUPAC Name:
4,6-dimethoxy-5-nitropyrimidine
InChI:
InChI=1S/C6H7N3O4/c1-12-5-4(9(10)11)6(13-2)8-3-7-5/h3H,1-2H3
InChI Key:
VPNSJECDVDBDTA-UHFFFAOYSA-N
SMILES:
COc1ncnc(c1[N+](=O)[O-])OC
EC Number:
239-955-5
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.139g/mol
Monoisotopic Mass:
185.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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