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Home > Nitro Compounds > 1245773-13-0
1245773-13-0 | 3-(4-nitrophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine
CAS No: 1245773-13-0 Catalog No: AG01AOI6 MDL No:MFCD18374176
Product Description
Catalog Number:
AG01AOI6
Chemical Name:
3-(4-nitrophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine
CAS Number:
1245773-13-0
Molecular Formula:
C12H12N4O2
Molecular Weight:
244.2493
MDL Number:
MFCD18374176
IUPAC Name:
3-(4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C12H12N4O2/c17-16(18)10-6-4-9(5-7-10)12-14-13-11-3-1-2-8-15(11)12/h4-7H,1-3,8H2
InChI Key:
JGQJMPXZZWWZTP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nnc2n1CCCC2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.254g/mol
Monoisotopic Mass:
244.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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