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Home > Nitro Compounds > 874362-35-3
874362-35-3 | Benzene, 2-methyl-1,5-dinitro-3-pentyl-
CAS No: 874362-35-3 Catalog No: AG004FXZ MDL No:
Product Description
Catalog Number:
AG004FXZ
Chemical Name:
Benzene, 2-methyl-1,5-dinitro-3-pentyl-
CAS Number:
874362-35-3
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
2-methyl-1,5-dinitro-3-pentylbenzene
InChI:
InChI=1S/C12H16N2O4/c1-3-4-5-6-10-7-11(13(15)16)8-12(9(10)2)14(17)18/h7-8H,3-6H2,1-2H3
InChI Key:
XJBUDSDHOSNUQA-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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