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Home > Nitro Compounds > 80830-32-6
80830-32-6 | Diazene,1-(3-methoxy-4-nitrosophenyl)-2-phenyl-
CAS No: 80830-32-6 Catalog No: AG005IOV MDL No:
Product Description
Catalog Number:
AG005IOV
Chemical Name:
Diazene,1-(3-methoxy-4-nitrosophenyl)-2-phenyl-
CAS Number:
80830-32-6
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
(3-methoxy-4-nitrosophenyl)-phenyldiazene
InChI:
InChI=1S/C13H11N3O2/c1-18-13-9-11(7-8-12(13)16-17)15-14-10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
WALFIZMABZBXTI-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2ccccc2)ccc1N=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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