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16869-84-4 | 2,4(1H,3H)-Pyrimidinedione, 5-[(2-chloroethyl)(2-fluoroethyl)amino]-
CAS No: 16869-84-4 Catalog No: AG001Y84 MDL No:
Product Description
Catalog Number:
AG001Y84
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-[(2-chloroethyl)(2-fluoroethyl)amino]-
CAS Number:
16869-84-4
Molecular Formula:
C8H11ClFN3O2
Molecular Weight:
235.6432
IUPAC Name:
5-[2-chloroethyl(2-fluoroethyl)amino]-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C8H11ClFN3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)
InChI Key:
CBGPFVOGDPXBSH-UHFFFAOYSA-N
SMILES:
FCCN(c1c[nH]c(=O)[nH]c1=O)CCCl
NSC Number:
96001
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.643g/mol
Monoisotopic Mass:
235.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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