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Home > Nitro Compounds > 99593-51-8
99593-51-8 | 4-METHYL-5-NITRO-PYRIMIDINE
CAS No: 99593-51-8 Catalog No: AG005SA8 MDL No:
Product Description
Catalog Number:
AG005SA8
Chemical Name:
4-METHYL-5-NITRO-PYRIMIDINE
CAS Number:
99593-51-8
Molecular Formula:
C5H5N3O2
Molecular Weight:
139.1121
IUPAC Name:
4-methyl-5-nitropyrimidine
InChI:
InChI=1S/C5H5N3O2/c1-4-5(8(9)10)2-6-3-7-4/h2-3H,1H3
InChI Key:
JTNFCNXZXZMCBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cncnc1C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.114g/mol
Monoisotopic Mass:
139.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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