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Home > Nitro Compounds > 88974-92-9
88974-92-9 | 1,2,4-Triazolo[4,3-a]pyridine, 7-nitro-3-(3,4,5-trimethoxyphenyl)-
CAS No: 88974-92-9 Catalog No: AG0045B5 MDL No:
Product Description
Catalog Number:
AG0045B5
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 7-nitro-3-(3,4,5-trimethoxyphenyl)-
CAS Number:
88974-92-9
Molecular Formula:
C15H14N4O5
Molecular Weight:
330.2955
IUPAC Name:
7-nitro-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C15H14N4O5/c1-22-11-6-9(7-12(23-2)14(11)24-3)15-17-16-13-8-10(19(20)21)4-5-18(13)15/h4-8H,1-3H3
InChI Key:
FFEARDTZCMBJIV-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nnc2n1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.3g/mol
Monoisotopic Mass:
330.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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