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Home > Nitro Compounds > 78932-25-9
78932-25-9 | 4(1H)-Pyrimidinone, 6-methyl-2-[[(4-nitrophenyl)methyl]thio]-
CAS No: 78932-25-9 Catalog No: AG005D5W MDL No:
Product Description
Catalog Number:
AG005D5W
Chemical Name:
4(1H)-Pyrimidinone, 6-methyl-2-[[(4-nitrophenyl)methyl]thio]-
CAS Number:
78932-25-9
Molecular Formula:
C12H11N3O3S
Molecular Weight:
277.2990
IUPAC Name:
4-methyl-2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H11N3O3S/c1-8-6-11(16)14-12(13-8)19-7-9-2-4-10(5-3-9)15(17)18/h2-6H,7H2,1H3,(H,13,14,16)
InChI Key:
DZLSHRVBNSDZBD-UHFFFAOYSA-N
SMILES:
O=c1cc(C)[nH]c(n1)SCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.298g/mol
Monoisotopic Mass:
277.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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