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Home > Nitro Compounds > 99893-01-3
99893-01-3 | 2-Methyl-5-nitropyrimidin-4(1H)-one
CAS No: 99893-01-3 Catalog No: AG01EE2J MDL No:
Product Description
Catalog Number:
AG01EE2J
Chemical Name:
2-Methyl-5-nitropyrimidin-4(1H)-one
CAS Number:
99893-01-3
IUPAC Name:
2-methyl-5-nitro-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H5N3O3/c1-3-6-2-4(8(10)11)5(9)7-3/h2H,1H3,(H,6,7,9)
InChI Key:
SZVXANZKTJYROP-UHFFFAOYSA-N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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