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Home > Nitro Compounds > 125488-18-8
125488-18-8 | 4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]morpholine
CAS No: 125488-18-8 Catalog No: AG00INZK MDL No:MFCD01315300
Product Description
Catalog Number:
AG00INZK
Chemical Name:
4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]morpholine
CAS Number:
125488-18-8
Molecular Formula:
C13H13N3O3S
Molecular Weight:
291.3256
MDL Number:
MFCD01315300
IUPAC Name:
4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]morpholine
InChI:
InChI=1S/C13H13N3O3S/c17-16(18)11-3-1-10(2-4-11)12-9-20-13(14-12)15-5-7-19-8-6-15/h1-4,9H,5-8H2
InChI Key:
PJNCUESNGZMFHB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1csc(n1)N1CCOCC1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.325g/mol
Monoisotopic Mass:
291.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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