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Home > Nitro Compounds > 872611-08-0
872611-08-0 | Isoxazole, 4-[(2-nitrophenoxy)methyl]-
CAS No: 872611-08-0 Catalog No: AG004PX9 MDL No:
Product Description
Catalog Number:
AG004PX9
Chemical Name:
Isoxazole, 4-[(2-nitrophenoxy)methyl]-
CAS Number:
872611-08-0
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
4-[(2-nitrophenoxy)methyl]-1,2-oxazole
InChI:
InChI=1S/C10H8N2O4/c13-12(14)9-3-1-2-4-10(9)15-6-8-5-11-16-7-8/h1-5,7H,6H2
InChI Key:
USVUHSGRMPBLGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OCc1conc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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