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1017113-26-6 | 3-Morpholinone, 6-(aminomethyl)-4-[(4-fluorophenyl)methyl]-
CAS No: 1017113-26-6 Catalog No: AG0005A6 MDL No:
Product Description
Catalog Number:
AG0005A6
Chemical Name:
3-Morpholinone, 6-(aminomethyl)-4-[(4-fluorophenyl)methyl]-
CAS Number:
1017113-26-6
Molecular Formula:
C12H15FN2O2
Molecular Weight:
238.2581
IUPAC Name:
6-(aminomethyl)-4-[(4-fluorophenyl)methyl]morpholin-3-one
InChI:
InChI=1S/C12H15FN2O2/c13-10-3-1-9(2-4-10)6-15-7-11(5-14)17-8-12(15)16/h1-4,11H,5-8,14H2
InChI Key:
LZHGYFWHWIPTLE-UHFFFAOYSA-N
SMILES:
NCC1OCC(=O)N(C1)Cc1ccc(cc1)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.262g/mol
Monoisotopic Mass:
238.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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