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Home > Nitro Compounds > 80830-37-1
80830-37-1 | Diazene,1-(2,5-dimethoxy-4-nitrophenyl)-2-phenyl-
CAS No: 80830-37-1 Catalog No: AG0057X0 MDL No:
Product Description
Catalog Number:
AG0057X0
Chemical Name:
Diazene,1-(2,5-dimethoxy-4-nitrophenyl)-2-phenyl-
CAS Number:
80830-37-1
Molecular Formula:
C14H13N3O4
Molecular Weight:
287.2707
IUPAC Name:
(2,5-dimethoxy-4-nitrophenyl)-phenyldiazene
InChI:
InChI=1S/C14H13N3O4/c1-20-13-9-12(17(18)19)14(21-2)8-11(13)16-15-10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
OUTAMTFNSWLMSN-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1N=Nc1ccccc1)OC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.275g/mol
Monoisotopic Mass:
287.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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