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74400-48-9 | 2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-
CAS No: 74400-48-9 Catalog No: AG005LNR MDL No:
Product Description
Catalog Number:
AG005LNR
Chemical Name:
2,1,3-Benzoxadiazol-4-amine, 7-nitro-N,N-dipropyl-
CAS Number:
74400-48-9
Molecular Formula:
C12H16N4O3
Molecular Weight:
264.2804
IUPAC Name:
4-nitro-N,N-dipropyl-2,1,3-benzoxadiazol-7-amine
InChI:
InChI=1S/C12H16N4O3/c1-3-7-15(8-4-2)9-5-6-10(16(17)18)12-11(9)13-19-14-12/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
GHQUCVFMTTZSKP-UHFFFAOYSA-N
SMILES:
CCCN(c1ccc(c2c1non2)[N+](=O)[O-])CCC
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.285g/mol
Monoisotopic Mass:
264.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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