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85386-88-5 | 1-Piperazinecarboxaldehyde, 4-(3-fluoro-2-pyridinyl)-
CAS No: 85386-88-5 Catalog No: AG004U1K MDL No:
Product Description
Catalog Number:
AG004U1K
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(3-fluoro-2-pyridinyl)-
CAS Number:
85386-88-5
Molecular Formula:
C10H12FN3O
Molecular Weight:
209.2202
IUPAC Name:
4-(3-fluoropyridin-2-yl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C10H12FN3O/c11-9-2-1-3-12-10(9)14-6-4-13(8-15)5-7-14/h1-3,8H,4-7H2
InChI Key:
LVESHKJRSWARMW-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1ncccc1F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.224g/mol
Monoisotopic Mass:
209.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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