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26033-23-8 | 1H-Pyrazole-4-carboxaldehyde, 3-(4-nitrophenyl)-
CAS No: 26033-23-8 Catalog No: AG002RFR MDL No:
Product Description
Catalog Number:
AG002RFR
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(4-nitrophenyl)-
CAS Number:
26033-23-8
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
5-(4-nitrophenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H7N3O3/c14-6-8-5-11-12-10(8)7-1-3-9(4-2-7)13(15)16/h1-6H,(H,11,12)
InChI Key:
RSIXQGMNFIJUOU-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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