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87789-52-4 | 1-Piperazinecarboxylic acid, 4-(5-fluoro-2-pyrimidinyl)-, ethyl ester
CAS No: 87789-52-4 Catalog No: AG004F9Y MDL No:
Product Description
Catalog Number:
AG004F9Y
Chemical Name:
1-Piperazinecarboxylic acid, 4-(5-fluoro-2-pyrimidinyl)-, ethyl ester
CAS Number:
87789-52-4
Molecular Formula:
C11H15FN4O2
Molecular Weight:
254.2608
IUPAC Name:
ethyl 4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C11H15FN4O2/c1-2-18-11(17)16-5-3-15(4-6-16)10-13-7-9(12)8-14-10/h7-8H,2-6H2,1H3
InChI Key:
PJVLCHDAXDWQHZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1ncc(cn1)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.265g/mol
Monoisotopic Mass:
254.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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