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Home > Nitro Compounds > 28469-23-0
28469-23-0 | 4-nitro-1-(2-phenylethyl)-1H-pyrazole
CAS No: 28469-23-0 Catalog No: AG00JV0V MDL No:
Product Description
Catalog Number:
AG00JV0V
Chemical Name:
4-nitro-1-(2-phenylethyl)-1H-pyrazole
CAS Number:
28469-23-0
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
4-nitro-1-(2-phenylethyl)pyrazole
InChI:
InChI=1S/C11H11N3O2/c15-14(16)11-8-12-13(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChI Key:
PQVATOIJLDLEIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CCc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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