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Home > Nitro Compounds > 10242-20-3
10242-20-3 | Benzene, 2,4-dinitro-1-(2-propyn-1-yloxy)-
CAS No: 10242-20-3 Catalog No: AG0007FB MDL No:
Product Description
Catalog Number:
AG0007FB
Chemical Name:
Benzene, 2,4-dinitro-1-(2-propyn-1-yloxy)-
CAS Number:
10242-20-3
Molecular Formula:
C9H6N2O5
Molecular Weight:
222.1543
IUPAC Name:
2,4-dinitro-1-prop-2-ynoxybenzene
InChI:
InChI=1S/C9H6N2O5/c1-2-5-16-9-4-3-7(10(12)13)6-8(9)11(14)15/h1,3-4,6H,5H2
InChI Key:
CGMWSKYBSOUDFJ-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.156g/mol
Monoisotopic Mass:
222.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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