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Home > Fluorides > 405910-36-3
405910-36-3 | 2,6-Dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
CAS No: 405910-36-3 Catalog No: AG01EVUF MDL No:MFCD02018696
Product Description
Catalog Number:
AG01EVUF
Chemical Name:
2,6-Dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
CAS Number:
405910-36-3
Molecular Formula:
C13H15F3N2O3
Molecular Weight:
304.2650
MDL Number:
MFCD02018696
IUPAC Name:
2,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
InChI:
InChI=1S/C13H15F3N2O3/c1-8-6-17(7-9(2)21-8)11-4-3-10(13(14,15)16)5-12(11)18(19)20/h3-5,8-9H,6-7H2,1-2H3
InChI Key:
BIASKZQAUHXFGJ-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.269g/mol
Monoisotopic Mass:
304.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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