Home Other Building Blocks 3-(2-Nitrophenyl)-1H-pyrazole

3-(2-Nitrophenyl)-1H-pyrazole

CAS No.:
59844-05-2
Catalog Number:
AG00EBB0
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG00EBB0
Chemical Name:
3-(2-Nitrophenyl)-1H-pyrazole
CAS Number:
59844-05-2
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD00665858
IUPAC Name:
5-(2-nitrophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H7N3O2/c13-12(14)9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6H,(H,10,11)
InChI Key:
LNRBQCSTNUDDGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1cc[nH]n1
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties