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Home > Nitro Compounds > 155850-91-2
155850-91-2 | Benzenemethanol, 2-hydroxy-5-[2-(4-nitrophenyl)diazenyl]-
CAS No: 155850-91-2 Catalog No: AG001OAF MDL No:
Product Description
Catalog Number:
AG001OAF
Chemical Name:
Benzenemethanol, 2-hydroxy-5-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
155850-91-2
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.2441
IUPAC Name:
2-(hydroxymethyl)-4-[(4-nitrophenyl)diazenyl]phenol
InChI:
InChI=1S/C13H11N3O4/c17-8-9-7-11(3-6-13(9)18)15-14-10-1-4-12(5-2-10)16(19)20/h1-7,17-18H,8H2
InChI Key:
FFUCYRLOIGENKO-UHFFFAOYSA-N
SMILES:
OCc1cc(N=Nc2ccc(cc2)[N+](=O)[O-])ccc1O
Properties
Complexity:
350
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:
2
Isotope Atom Count:
0
Molecular Weight:
273.248g/mol
Monoisotopic Mass:
273.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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