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512809-20-0 | 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanohydrazide
CAS No: 512809-20-0 Catalog No: AG00JE82 MDL No:MFCD03423230
Product Description
Catalog Number:
AG00JE82
Chemical Name:
2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanohydrazide
CAS Number:
512809-20-0
Molecular Formula:
C7H11N5O4
Molecular Weight:
229.1933
MDL Number:
MFCD03423230
IUPAC Name:
2-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
InChI:
InChI=1S/C7H11N5O4/c1-4(6(13)9-8)11-3-5(12(14)15)7(10-11)16-2/h3-4H,8H2,1-2H3,(H,9,13)
InChI Key:
LEHCLOYKPOCRRA-UHFFFAOYSA-N
SMILES:
NNC(=O)C(n1nc(c(c1)[N+](=O)[O-])OC)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.081g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.196g/mol
Monoisotopic Mass:
229.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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