Home Nitros 1-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole

1-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole

CAS No.:
400877-60-3
Catalog Number:
AG00JV0M
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG00JV0M
Chemical Name:
1-[(4-methylphenyl)methyl]-4-nitro-1H-pyrazole
CAS Number:
400877-60-3
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD02029346
IUPAC Name:
1-[(4-methylphenyl)methyl]-4-nitropyrazole
InChI:
InChI=1S/C11H11N3O2/c1-9-2-4-10(5-3-9)7-13-8-11(6-12-13)14(15)16/h2-6,8H,7H2,1H3
InChI Key:
LWRGNXGRIFXGAI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
246  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties