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Home > Nitro Compounds > 833462-36-5
833462-36-5 | Isoxazole, 4,5-dihydro-3-(4-nitrophenyl)-5-[(phenylseleno)methyl]-
CAS No: 833462-36-5 Catalog No: AG004SF1 MDL No:
Product Description
Catalog Number:
AG004SF1
Chemical Name:
Isoxazole, 4,5-dihydro-3-(4-nitrophenyl)-5-[(phenylseleno)methyl]-
CAS Number:
833462-36-5
Molecular Formula:
C16H14N2O3Se
Molecular Weight:
361.2540
IUPAC Name:
3-(4-nitrophenyl)-5-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C16H14N2O3Se/c19-18(20)13-8-6-12(7-9-13)16-10-14(21-17-16)11-22-15-4-2-1-3-5-15/h1-9,14H,10-11H2
InChI Key:
RETJLGQEHVRPFH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=NOC(C1)C[Se]c1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.017g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.27g/mol
Monoisotopic Mass:
362.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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