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Home > Nitro Compounds > 100728-48-1
100728-48-1 | Phenol, 3-methoxy-4-[2-(2-nitrophenyl)diazenyl]-
CAS No: 100728-48-1 Catalog No: AG0002Q7 MDL No:
Product Description
Catalog Number:
AG0002Q7
Chemical Name:
Phenol, 3-methoxy-4-[2-(2-nitrophenyl)diazenyl]-
CAS Number:
100728-48-1
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.2441
IUPAC Name:
3-methoxy-4-[(2-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C13H11N3O4/c1-20-13-8-9(17)6-7-11(13)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3
InChI Key:
OUCYLJDBBJHXBO-UHFFFAOYSA-N
SMILES:
COc1cc(O)ccc1N=Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.248g/mol
Monoisotopic Mass:
273.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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