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Home > Nitro Compounds > 23197-55-9
23197-55-9 | Phenol, 4,4'-(1-methylethylidene)bis[2,6-dinitro-
CAS No: 23197-55-9 Catalog No: AG002MI0 MDL No:
Product Description
Catalog Number:
AG002MI0
Chemical Name:
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dinitro-
CAS Number:
23197-55-9
Molecular Formula:
C15H12N4O10
Molecular Weight:
408.2766
IUPAC Name:
4-[2-(4-hydroxy-3,5-dinitrophenyl)propan-2-yl]-2,6-dinitrophenol
InChI:
InChI=1S/C15H12N4O10/c1-15(2,7-3-9(16(22)23)13(20)10(4-7)17(24)25)8-5-11(18(26)27)14(21)12(6-8)19(28)29/h3-6,20-21H,1-2H3
InChI Key:
XGDRLUOCCGMFEF-UHFFFAOYSA-N
SMILES:
CC(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.055g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.279g/mol
Monoisotopic Mass:
408.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| 3,3'-Dinitro-bis-phenol A. | Acta crystallographica. Section E, Structure reports online 20111001 |
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