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1855889-73-4 | methyl 1-(1-ethyl-4-nitro-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxylate
CAS No: 1855889-73-4 Catalog No: AG01FKVA MDL No:
Product Description
Catalog Number:
AG01FKVA
Chemical Name:
methyl 1-(1-ethyl-4-nitro-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxylate
CAS Number:
1855889-73-4
Molecular Formula:
C10H11N5O4
Molecular Weight:
265.2254
IUPAC Name:
methyl 1-(1-ethyl-4-nitropyrazol-3-yl)pyrazole-3-carboxylate
InChI:
InChI=1S/C10H11N5O4/c1-3-13-6-8(15(17)18)9(12-13)14-5-4-7(11-14)10(16)19-2/h4-6H,3H2,1-2H3
InChI Key:
JNDGXOCFINNDLT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn(n1)c1nn(cc1[N+](=O)[O-])CC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.229g/mol
Monoisotopic Mass:
265.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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