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1027258-42-9 | 1H-Indazol-3-amine, 5-nitro-N-(2-oxazolylmethyl)-
CAS No: 1027258-42-9 Catalog No: AG00087Y MDL No:
Product Description
Catalog Number:
AG00087Y
Chemical Name:
1H-Indazol-3-amine, 5-nitro-N-(2-oxazolylmethyl)-
CAS Number:
1027258-42-9
Molecular Formula:
C11H9N5O3
Molecular Weight:
259.2209
IUPAC Name:
5-nitro-N-(1,3-oxazol-2-ylmethyl)-1H-indazol-3-amine
InChI:
InChI=1S/C11H9N5O3/c17-16(18)7-1-2-9-8(5-7)11(15-14-9)13-6-10-12-3-4-19-10/h1-5H,6H2,(H2,13,14,15)
InChI Key:
GUUKTJYQKDCUCS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(NCc1ncco1)n[nH]2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.225g/mol
Monoisotopic Mass:
259.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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