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Home > Nitro Compounds > 87752-51-0
87752-51-0 | Isoxazole, 2,3-dihydro-2,3,5-trimethyl-4-nitro-3-(nitromethyl)-
CAS No: 87752-51-0 Catalog No: AG004LJV MDL No:
Product Description
Catalog Number:
AG004LJV
Chemical Name:
Isoxazole, 2,3-dihydro-2,3,5-trimethyl-4-nitro-3-(nitromethyl)-
CAS Number:
87752-51-0
Molecular Formula:
C7H11N3O5
Molecular Weight:
217.1793
IUPAC Name:
2,3,5-trimethyl-4-nitro-3-(nitromethyl)-1,2-oxazole
InChI:
InChI=1S/C7H11N3O5/c1-5-6(10(13)14)7(2,4-9(11)12)8(3)15-5/h4H2,1-3H3
InChI Key:
XFOHEPVQRYTEHR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC1(C)N(C)OC(=C1[N+](=O)[O-])C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.181g/mol
Monoisotopic Mass:
217.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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