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Home > Nitro Compounds > 87149-82-4
87149-82-4 | Isoxazole, 3-(diethoxymethyl)-4-nitro-
CAS No: 87149-82-4 Catalog No: AG004KIO MDL No:
Product Description
Catalog Number:
AG004KIO
Chemical Name:
Isoxazole, 3-(diethoxymethyl)-4-nitro-
CAS Number:
87149-82-4
Molecular Formula:
C8H12N2O5
Molecular Weight:
216.1913
IUPAC Name:
3-(diethoxymethyl)-4-nitro-1,2-oxazole
InChI:
InChI=1S/C8H12N2O5/c1-3-13-8(14-4-2)7-6(10(11)12)5-15-9-7/h5,8H,3-4H2,1-2H3
InChI Key:
MFMGEKPWYLBCAD-UHFFFAOYSA-N
SMILES:
CCOC(c1nocc1[N+](=O)[O-])OCC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.193g/mol
Monoisotopic Mass:
216.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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