Home Halogens 1-[1-(2-chlorophenyl)-2-nitropropyl]-1H-pyrazole

1-[1-(2-chlorophenyl)-2-nitropropyl]-1H-pyrazole

CAS No.:
1803588-84-2
Catalog Number:
AG01BHK8
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
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Product Description
Catalog Number:
AG01BHK8
Chemical Name:
1-[1-(2-chlorophenyl)-2-nitropropyl]-1H-pyrazole
CAS Number:
1803588-84-2
Molecular Formula:
C12H12ClN3O2
Molecular Weight:
265.6956
MDL Number:
MFCD28397351
IUPAC Name:
1-[1-(2-chlorophenyl)-2-nitropropyl]pyrazole
InChI:
InChI=1S/C12H12ClN3O2/c1-9(16(17)18)12(15-8-4-7-14-15)10-5-2-3-6-11(10)13/h2-9,12H,1H3
InChI Key:
XNAQKGVMVCLALO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(c1ccccc1Cl)n1cccn1)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.062g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.697g/mol
Monoisotopic Mass:
265.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties