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Home > Nitro Compounds > 79059-85-1
79059-85-1 | Phenol, 5-methyl-2-[(2-nitrophenyl)azo]-
CAS No: 79059-85-1 Catalog No: AG005CCM MDL No:
Product Description
Catalog Number:
AG005CCM
Chemical Name:
Phenol, 5-methyl-2-[(2-nitrophenyl)azo]-
CAS Number:
79059-85-1
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
5-methyl-2-[(2-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C13H11N3O3/c1-9-6-7-11(13(17)8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3
InChI Key:
VHNOABFYDJGZOB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)O)N=Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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