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Home > Nitro Compounds > 81238-59-7
81238-59-7 | Phenol, 4-[(2,4-dinitrophenyl)azo]-2,6-bis(methoxymethyl)-
CAS No: 81238-59-7 Catalog No: AG0054VF MDL No:
Product Description
Catalog Number:
AG0054VF
Chemical Name:
Phenol, 4-[(2,4-dinitrophenyl)azo]-2,6-bis(methoxymethyl)-
CAS Number:
81238-59-7
Molecular Formula:
C16H16N4O7
Molecular Weight:
376.3208
IUPAC Name:
4-[(2,4-dinitrophenyl)diazenyl]-2,6-bis(methoxymethyl)phenol
InChI:
InChI=1S/C16H16N4O7/c1-26-8-10-5-12(6-11(9-27-2)16(10)21)17-18-14-4-3-13(19(22)23)7-15(14)20(24)25/h3-7,21H,8-9H2,1-2H3
InChI Key:
HINSAQVMAZCKQT-UHFFFAOYSA-N
SMILES:
COCc1cc(N=Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc(c1O)COC
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.102g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.325g/mol
Monoisotopic Mass:
376.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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