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Home > Fluorides > 1001397-31-4
1001397-31-4 | 4-Piperidinol, 1-(5-fluoro-2-pyrimidinyl)-
CAS No: 1001397-31-4 Catalog No: AG00012M MDL No:MFCD18380092
Product Description
Catalog Number:
AG00012M
Chemical Name:
4-Piperidinol, 1-(5-fluoro-2-pyrimidinyl)-
CAS Number:
1001397-31-4
Molecular Formula:
C9H12FN3O
Molecular Weight:
197.2095
MDL Number:
MFCD18380092
IUPAC Name:
1-(5-fluoropyrimidin-2-yl)piperidin-4-ol
InChI:
InChI=1S/C9H12FN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2
InChI Key:
AKSSRPFRLMFAOV-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1)c1ncc(cn1)F
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.213g/mol
Monoisotopic Mass:
197.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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