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107842-58-0 | 5-Amino-3-methyl-1-(3-nitrophenyl);-1H-pyrazole-4-carbonitrile
CAS No: 107842-58-0 Catalog No: AG003MDS MDL No:MFCD11053855
Product Description
Catalog Number:
AG003MDS
Chemical Name:
5-Amino-3-methyl-1-(3-nitrophenyl);-1H-pyrazole-4-carbonitrile
CAS Number:
107842-58-0
Molecular Formula:
C11H9N5O2
Molecular Weight:
243.2215
MDL Number:
MFCD11053855
IUPAC Name:
5-amino-3-methyl-1-(3-nitrophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C11H9N5O2/c1-7-10(6-12)11(13)15(14-7)8-3-2-4-9(5-8)16(17)18/h2-5H,13H2,1H3
InChI Key:
JDSITPIWVFGILP-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1N)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
373
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
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