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Home > Imidazoles > 90693-38-2
90693-38-2 | 3-(1-methyl-5-nitro-imidazol-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-5-ol
CAS No: 90693-38-2 Catalog No: AG006MUD MDL No:
Product Description
Catalog Number:
AG006MUD
Chemical Name:
3-(1-methyl-5-nitro-imidazol-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-5-ol
CAS Number:
90693-38-2
Molecular Formula:
C11H14N4O4
Molecular Weight:
266.2533
IUPAC Name:
3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazol-5-ol
InChI:
InChI=1S/C11H14N4O4/c1-14-9(15(17)18)5-12-11(14)10-7-4-6(16)2-3-8(7)19-13-10/h5-8,16H,2-4H2,1H3
InChI Key:
WUCDITZXANIKKW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)C1=NOC2C1CC(O)CC2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.257g/mol
Monoisotopic Mass:
266.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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