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Home > Nitro Compounds > 138528-19-5
138528-19-5 | Benzene, 1,3-dinitro-5-[(2-propen-1-yloxy)methyl]-
CAS No: 138528-19-5 Catalog No: AG0019D9 MDL No:
Product Description
Catalog Number:
AG0019D9
Chemical Name:
Benzene, 1,3-dinitro-5-[(2-propen-1-yloxy)methyl]-
CAS Number:
138528-19-5
Molecular Formula:
C10H10N2O5
Molecular Weight:
238.1968
IUPAC Name:
1,3-dinitro-5-(prop-2-enoxymethyl)benzene
InChI:
InChI=1S/C10H10N2O5/c1-2-3-17-7-8-4-9(11(13)14)6-10(5-8)12(15)16/h2,4-6H,1,3,7H2
InChI Key:
BBXWMMQQHJETCD-UHFFFAOYSA-N
SMILES:
C=CCOCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.199g/mol
Monoisotopic Mass:
238.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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