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Home > Fluorides > 1253924-71-8
1253924-71-8 | 1,3,8-Triazaspiro[4.5]dec-1-en-4-one, 2-[4-(trifluoromethoxy)phenyl]-
CAS No: 1253924-71-8 Catalog No: AG000NM5 MDL No:MFCD22375530
Product Description
Catalog Number:
AG000NM5
Chemical Name:
1,3,8-Triazaspiro[4.5]dec-1-en-4-one, 2-[4-(trifluoromethoxy)phenyl]-
CAS Number:
1253924-71-8
Molecular Formula:
C14H14F3N3O2
Molecular Weight:
313.2751
MDL Number:
MFCD22375530
IUPAC Name:
2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
InChI:
InChI=1S/C14H14F3N3O2/c15-14(16,17)22-10-3-1-9(2-4-10)11-19-12(21)13(20-11)5-7-18-8-6-13/h1-4,18H,5-8H2,(H,19,20,21)
InChI Key:
SWHIVSUFNKSRKF-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)C1=NC2(C(=O)N1)CCNCC2)(F)F
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.28g/mol
Monoisotopic Mass:
313.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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