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Home > Nitro Compounds > 130-60-9
130-60-9 | Phenol, 2-cyclohexyl-4,6-dinitro-, sodium salt (1:1)
CAS No: 130-60-9 Catalog No: AG000TV7 MDL No:
Product Description
Catalog Number:
AG000TV7
Chemical Name:
Phenol, 2-cyclohexyl-4,6-dinitro-, sodium salt (1:1)
CAS Number:
130-60-9
Molecular Formula:
C12H14N2NaO5
Molecular Weight:
289.2397
IUPAC Name:
sodium;2-cyclohexyl-4,6-dinitrophenolate
InChI:
InChI=1S/C12H14N2O5.Na/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19;/h6-8,15H,1-5H2;/q;+1/p-1
InChI Key:
ZPJNODIYCJVPHX-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cc(C2CCCCC2)c(c(c1)[N+](=O)[O-])O.[Na]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.235g/mol
Monoisotopic Mass:
288.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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