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183204-33-3 | 2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-(1-pyrrolidinylmethyl)-
CAS No: 183204-33-3 Catalog No: AG0027EW MDL No:
Product Description
Catalog Number:
AG0027EW
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-chloro-6-(1-pyrrolidinylmethyl)-
CAS Number:
183204-33-3
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
IUPAC Name:
5-chloro-6-(pyrrolidin-1-ylmethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C9H12ClN3O2/c10-7-6(5-13-3-1-2-4-13)11-9(15)12-8(7)14/h1-5H2,(H2,11,12,14,15)
InChI Key:
UMNZZEWMRNSNIH-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(CN2CCCC2)c(c(=O)[nH]1)Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.664g/mol
Monoisotopic Mass:
229.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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