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Home > Nitro Compounds > 939047-04-8
939047-04-8 | 4-(Cyclohexyl(5-methoxy-4-(4-nitrophenyl) oxazol-2-yl)methyl)morpholine
CAS No: 939047-04-8 Catalog No: AG01EZEI MDL No:
Product Description
Catalog Number:
AG01EZEI
Chemical Name:
4-(Cyclohexyl(5-methoxy-4-(4-nitrophenyl) oxazol-2-yl)methyl)morpholine
CAS Number:
939047-04-8
Molecular Formula:
C21H27N3O5
Molecular Weight:
401.4562
IUPAC Name:
4-[cyclohexyl-[5-methoxy-4-(4-nitrophenyl)-1,3-oxazol-2-yl]methyl]morpholine
InChI:
InChI=1S/C21H27N3O5/c1-27-21-18(15-7-9-17(10-8-15)24(25)26)22-20(29-21)19(16-5-3-2-4-6-16)23-11-13-28-14-12-23/h7-10,16,19H,2-6,11-14H2,1H3
InChI Key:
WCTQXSFJCDFUEE-UHFFFAOYSA-N
SMILES:
COc1oc(nc1c1ccc(cc1)[N+](=O)[O-])C(N1CCOCC1)C1CCCCC1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.195g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.463g/mol
Monoisotopic Mass:
401.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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