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Home > Nitro Compounds > 832139-49-8
832139-49-8 | [1,2,4]Triazolo[1,5-c]quinazoline, 2-(4-nitrophenyl)-
CAS No: 832139-49-8 Catalog No: AG0057Y9 MDL No:
Product Description
Catalog Number:
AG0057Y9
Chemical Name:
[1,2,4]Triazolo[1,5-c]quinazoline, 2-(4-nitrophenyl)-
CAS Number:
832139-49-8
Molecular Formula:
C15H9N5O2
Molecular Weight:
291.2643
IUPAC Name:
2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazoline
InChI:
InChI=1S/C15H9N5O2/c21-20(22)11-7-5-10(6-8-11)14-17-15-12-3-1-2-4-13(12)16-9-19(15)18-14/h1-9H
InChI Key:
QILHGVFUHQTXMJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nn2c(n1)c1ccccc1nc2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.27g/mol
Monoisotopic Mass:
291.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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