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23633-05-8 | Methanol, 1-[[4-methyl-5-(5-nitro-2-furanyl)-4H-1,2,4-triazol-3-yl]amino]-
CAS No: 23633-05-8 Catalog No: AG002NZB MDL No:
Product Description
Catalog Number:
AG002NZB
Chemical Name:
Methanol, 1-[[4-methyl-5-(5-nitro-2-furanyl)-4H-1,2,4-triazol-3-yl]amino]-
CAS Number:
23633-05-8
Molecular Formula:
C8H9N5O4
Molecular Weight:
239.1882
IUPAC Name:
[[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol
InChI:
InChI=1S/C8H9N5O4/c1-12-7(10-11-8(12)9-4-14)5-2-3-6(17-5)13(15)16/h2-3,14H,4H2,1H3,(H,9,11)
InChI Key:
KLSJGJFSWDJEOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1nnc(n1C)NCO
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.191g/mol
Monoisotopic Mass:
239.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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