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Home > Nitro Compounds > 10242-24-7
10242-24-7 | Benzene, 1,3,5-trinitro-2-propoxy-
CAS No: 10242-24-7 Catalog No: AG0007F8 MDL No:
Product Description
Catalog Number:
AG0007F8
Chemical Name:
Benzene, 1,3,5-trinitro-2-propoxy-
CAS Number:
10242-24-7
Molecular Formula:
C9H9N3O7
Molecular Weight:
271.1837
IUPAC Name:
1,3,5-trinitro-2-propoxybenzene
InChI:
InChI=1S/C9H9N3O7/c1-2-3-19-9-7(11(15)16)4-6(10(13)14)5-8(9)12(17)18/h4-5H,2-3H2,1H3
InChI Key:
FQFKHVMLVCZDTP-UHFFFAOYSA-N
SMILES:
CCCOc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.185g/mol
Monoisotopic Mass:
271.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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