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Home > Nitro Compounds > 84100-06-1
84100-06-1 | Phenol,4-[2-[2-methoxy-5-methyl-4-[2-(3-nitrophenyl)diazenyl]phenyl]diazenyl]-
CAS No: 84100-06-1 Catalog No: AG0050BB MDL No:
Product Description
Catalog Number:
AG0050BB
Chemical Name:
Phenol,4-[2-[2-methoxy-5-methyl-4-[2-(3-nitrophenyl)diazenyl]phenyl]diazenyl]-
CAS Number:
84100-06-1
Molecular Formula:
C20H17N5O4
Molecular Weight:
391.3801
IUPAC Name:
4-[[2-methoxy-5-methyl-4-[(3-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
InChI:
InChI=1S/C20H17N5O4/c1-13-10-19(24-21-14-6-8-17(26)9-7-14)20(29-2)12-18(13)23-22-15-4-3-5-16(11-15)25(27)28/h3-12,26H,1-2H3
InChI Key:
NPLUVYLGXGYHTE-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2cccc(c2)[N+](=O)[O-])c(cc1N=Nc1ccc(cc1)O)C
EC Number:
282-087-7
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.128g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.387g/mol
Monoisotopic Mass:
391.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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