Home Other Building Blocks 6-(3-NITROPHENYL)-3(2H)-PYRIDAZINONE

6-(3-NITROPHENYL)-3(2H)-PYRIDAZINONE

CAS No.:
54558-01-9
Catalog Number:
AG00DDX2
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
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Product Description
Catalog Number:
AG00DDX2
Chemical Name:
6-(3-NITROPHENYL)-3(2H)-PYRIDAZINONE
CAS Number:
54558-01-9
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
MDL Number:
MFCD08062116
IUPAC Name:
3-(3-nitrophenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C10H7N3O3/c14-10-5-4-9(11-12-10)7-2-1-3-8(6-7)13(15)16/h1-6H,(H,12,14)
InChI Key:
AFTJTAIZFQQYIN-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties