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1215121-75-7 | 1-methyl-3-nitro-1H-pyrazole-5-carbaldehyde
CAS No: 1215121-75-7 Catalog No: AG01AFQK MDL No:MFCD18262333
Product Description
Catalog Number:
AG01AFQK
Chemical Name:
1-methyl-3-nitro-1H-pyrazole-5-carbaldehyde
CAS Number:
1215121-75-7
Molecular Formula:
C5H5N3O3
Molecular Weight:
155.1115
MDL Number:
MFCD18262333
IUPAC Name:
2-methyl-5-nitropyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H5N3O3/c1-7-4(3-9)2-5(6-7)8(10)11/h2-3H,1H3
InChI Key:
YFVJYQKUBWBHDV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1C)[N+](=O)[O-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.113g/mol
Monoisotopic Mass:
155.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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