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29491-90-5 | Benzenamine, 4-[2-(2,5-dimethoxy-4-nitrophenyl)diazenyl]-
CAS No: 29491-90-5 Catalog No: AG002YKE MDL No:
Product Description
Catalog Number:
AG002YKE
Chemical Name:
Benzenamine, 4-[2-(2,5-dimethoxy-4-nitrophenyl)diazenyl]-
CAS Number:
29491-90-5
Molecular Formula:
C14H14N4O4
Molecular Weight:
302.2854
IUPAC Name:
4-[(2,5-dimethoxy-4-nitrophenyl)diazenyl]aniline
InChI:
InChI=1S/C14H14N4O4/c1-21-13-8-12(18(19)20)14(22-2)7-11(13)17-16-10-5-3-9(15)4-6-10/h3-8H,15H2,1-2H3
InChI Key:
NACPSULWDGOFTJ-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1N=Nc1ccc(cc1)N)OC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.29g/mol
Monoisotopic Mass:
302.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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