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Home > Nitro Compounds > 27766-47-8
27766-47-8 | Benzenediazonium, 2,5-dimethoxy-4-[2-(4-nitrophenyl)diazenyl]-
CAS No: 27766-47-8 Catalog No: AG002UPG MDL No:
Product Description
Catalog Number:
AG002UPG
Chemical Name:
Benzenediazonium, 2,5-dimethoxy-4-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
27766-47-8
Molecular Formula:
C14H12N5O4+
Molecular Weight:
314.2762
IUPAC Name:
2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]benzenediazonium
InChI:
InChI=1S/C14H12N5O4/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21/h3-8H,1-2H3/q+1
InChI Key:
AXQTUUPVMIBBKV-UHFFFAOYSA-N
SMILES:
COc1cc([N+]#N)c(cc1N=Nc1ccc(cc1)[N+](=O)[O-])OC
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.089g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.281g/mol
Monoisotopic Mass:
314.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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