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Home > Nitro Compounds > 1240569-39-4
1240569-39-4 | 3-nitro-1-(1-phenylethyl)-1H-pyrazole
CAS No: 1240569-39-4 Catalog No: AG00JUZ9 MDL No:MFCD16810620
Product Description
Catalog Number:
AG00JUZ9
Chemical Name:
3-nitro-1-(1-phenylethyl)-1H-pyrazole
CAS Number:
1240569-39-4
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD16810620
IUPAC Name:
3-nitro-1-(1-phenylethyl)pyrazole
InChI:
InChI=1S/C11H11N3O2/c1-9(10-5-3-2-4-6-10)13-8-7-11(12-13)14(15)16/h2-9H,1H3
InChI Key:
APIVRJCVEFESMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)C(c1ccccc1)C
Properties
Complexity:
248
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:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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