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Home > Imidazoles > 866050-42-2
866050-42-2 | 4-{4-[(2-methyl-4,5-dihydro-1H-imidazol-1-yl)sulfonyl]-2-nitrophenyl}morpholine
CAS No: 866050-42-2 Catalog No: AG00IQBO MDL No:MFCD03787583
Product Description
Catalog Number:
AG00IQBO
Chemical Name:
4-{4-[(2-methyl-4,5-dihydro-1H-imidazol-1-yl)sulfonyl]-2-nitrophenyl}morpholine
CAS Number:
866050-42-2
Molecular Formula:
C14H18N4O5S
Molecular Weight:
354.3815
MDL Number:
MFCD03787583
IUPAC Name:
4-[4-[(2-methyl-4,5-dihydroimidazol-1-yl)sulfonyl]-2-nitrophenyl]morpholine
InChI:
InChI=1S/C14H18N4O5S/c1-11-15-4-5-17(11)24(21,22)12-2-3-13(14(10-12)18(19)20)16-6-8-23-9-7-16/h2-3,10H,4-9H2,1H3
InChI Key:
BTMDJEAVTJVFDT-UHFFFAOYSA-N
SMILES:
CC1=NCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.381g/mol
Monoisotopic Mass:
354.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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