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Home > Nitro Compounds > 143999-38-6
143999-38-6 | Phenol, 2-(2-methylbutyl)-4,6-dinitro-
CAS No: 143999-38-6 Catalog No: AG001IQB MDL No:
Product Description
Catalog Number:
AG001IQB
Chemical Name:
Phenol, 2-(2-methylbutyl)-4,6-dinitro-
CAS Number:
143999-38-6
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
IUPAC Name:
2-(2-methylbutyl)-4,6-dinitrophenol
InChI:
InChI=1S/C11H14N2O5/c1-3-7(2)4-8-5-9(12(15)16)6-10(11(8)14)13(17)18/h5-7,14H,3-4H2,1-2H3
InChI Key:
FPKMDUVYQYJECT-UHFFFAOYSA-N
SMILES:
CCC(Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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