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Home > Nitro Compounds > 73773-48-5
73773-48-5 | 4(3H)-Pyrimidinone, 2-[(2,4-dinitrophenyl)thio]-
CAS No: 73773-48-5 Catalog No: AG005KNX MDL No:
Product Description
Catalog Number:
AG005KNX
Chemical Name:
4(3H)-Pyrimidinone, 2-[(2,4-dinitrophenyl)thio]-
CAS Number:
73773-48-5
Molecular Formula:
C10H6N4O5S
Molecular Weight:
294.2434
IUPAC Name:
2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H6N4O5S/c15-9-3-4-11-10(12-9)20-8-2-1-6(13(16)17)5-7(8)14(18)19/h1-5H,(H,11,12,15)
InChI Key:
AVHZRVAXTRQUQB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1nccc(=O)[nH]1)[N+](=O)[O-]
UNII:
BV17Z135WI
NSC Number:
288670
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.241g/mol
Monoisotopic Mass:
294.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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