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Home > Nitro Compounds > 872578-74-0
872578-74-0 | Ethanone, 1-[4-(3-azidopropoxy)-5-methoxy-2-nitrophenyl]-
CAS No: 872578-74-0 Catalog No: AG004PZ8 MDL No:
Product Description
Catalog Number:
AG004PZ8
Chemical Name:
Ethanone, 1-[4-(3-azidopropoxy)-5-methoxy-2-nitrophenyl]-
CAS Number:
872578-74-0
Molecular Formula:
C12H14N4O5
Molecular Weight:
294.2634
IUPAC Name:
1-[4-(3-azidopropoxy)-5-methoxy-2-nitrophenyl]ethanone
InChI:
InChI=1S/C12H14N4O5/c1-8(17)9-6-11(20-2)12(7-10(9)16(18)19)21-5-3-4-14-15-13/h6-7H,3-5H2,1-2H3
InChI Key:
PLZVFCUQALAXRM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(OCCCN=[N+]=[N-])c(cc1C(=O)C)OC
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.267g/mol
Monoisotopic Mass:
294.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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