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89856-75-7 | 2,4(1H,3H)-Pyrimidinedione,5-chloro-6-propyl-
CAS No: 89856-75-7 Catalog No: AG003XD3 MDL No:
Product Description
Catalog Number:
AG003XD3
Chemical Name:
2,4(1H,3H)-Pyrimidinedione,5-chloro-6-propyl-
CAS Number:
89856-75-7
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
IUPAC Name:
5-chloro-6-propyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H9ClN2O2/c1-2-3-4-5(8)6(11)10-7(12)9-4/h2-3H2,1H3,(H2,9,10,11,12)
InChI Key:
DBCBWEHSEHOVPW-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c(=O)[nH]c(=O)c1Cl
NSC Number:
58563
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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