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Home > Nitro Compounds > 138061-29-7
138061-29-7 | Phenol, 2-[[(2-hydroxy-4-nitrophenyl)imino]methyl]-4-nitro-
CAS No: 138061-29-7 Catalog No: AG0017XZ MDL No:
Product Description
Catalog Number:
AG0017XZ
Chemical Name:
Phenol, 2-[[(2-hydroxy-4-nitrophenyl)imino]methyl]-4-nitro-
CAS Number:
138061-29-7
Molecular Formula:
C13H9N3O6
Molecular Weight:
303.2271
IUPAC Name:
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrophenol
InChI:
InChI=1S/C13H9N3O6/c17-12-4-2-9(15(19)20)5-8(12)7-14-11-3-1-10(16(21)22)6-13(11)18/h1-7,17-18H
InChI Key:
BUIYECCAUPUSOV-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1N=Cc1cc(ccc1O)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.23g/mol
Monoisotopic Mass:
303.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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