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Home > Nitro Compounds > 88974-90-7
88974-90-7 | 1,2,4-Triazolo[4,3-a]pyridine, 3-(4-methoxyphenyl)-7-nitro-
CAS No: 88974-90-7 Catalog No: AG0046KG MDL No:
Product Description
Catalog Number:
AG0046KG
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 3-(4-methoxyphenyl)-7-nitro-
CAS Number:
88974-90-7
Molecular Formula:
C13H10N4O3
Molecular Weight:
270.2435
IUPAC Name:
3-(4-methoxyphenyl)-7-nitro-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C13H10N4O3/c1-20-11-4-2-9(3-5-11)13-15-14-12-8-10(17(18)19)6-7-16(12)13/h2-8H,1H3
InChI Key:
MZLONVUMZHYOCZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc2n1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.248g/mol
Monoisotopic Mass:
270.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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