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Home Nitros 5-Amino-4-cyano-3-methyl-1-(4-nitrophenyl)pyrazole

5-Amino-4-cyano-3-methyl-1-(4-nitrophenyl)pyrazole

CAS No.:
76982-31-5
Catalog Number:
AG003MDT
Molecular Formula:
C11H9N5O2
Molecular Weight:
243.2215
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003MDT
Chemical Name:
5-Amino-4-cyano-3-methyl-1-(4-nitrophenyl)pyrazole
CAS Number:
76982-31-5
Molecular Formula:
C11H9N5O2
Molecular Weight:
243.2215
MDL Number:
MFCD10699682
IUPAC Name:
5-amino-3-methyl-1-(4-nitrophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C11H9N5O2/c1-7-10(6-12)11(13)15(14-7)8-2-4-9(5-3-8)16(17)18/h2-5H,13H2,1H3
InChI Key:
NDJSYGYGKQJEOC-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1N)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.076g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.226g/mol
Monoisotopic Mass:
243.076g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties