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1020057-92-4 | 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2,4-difluorophenyl)-3-methyl-
CAS No: 1020057-92-4 Catalog No: AG0006AE MDL No:MFCD08459254
Product Description
Catalog Number:
AG0006AE
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-1-(2,4-difluorophenyl)-3-methyl-
CAS Number:
1020057-92-4
Molecular Formula:
C11H8F2N4
Molecular Weight:
234.2048
MDL Number:
MFCD08459254
IUPAC Name:
5-amino-1-(2,4-difluorophenyl)-3-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C11H8F2N4/c1-6-8(5-14)11(15)17(16-6)10-3-2-7(12)4-9(10)13/h2-4H,15H2,1H3
InChI Key:
PNSJVBVHKNJXCF-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1N)c1ccc(cc1F)F
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.21g/mol
Monoisotopic Mass:
234.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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