Home Nitriles 5-amino-1-(2,4-difluorophenyl)-1H-pyrazole-4-carbonitrile

5-amino-1-(2,4-difluorophenyl)-1H-pyrazole-4-carbonitrile

CAS No.:
102996-25-8
Catalog Number:
AG00JV50
Molecular Formula:
C10H6F2N4
Molecular Weight:
220.1782
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Product Description
Catalog Number:
AG00JV50
Chemical Name:
5-amino-1-(2,4-difluorophenyl)-1H-pyrazole-4-carbonitrile
CAS Number:
102996-25-8
Molecular Formula:
C10H6F2N4
Molecular Weight:
220.1782
MDL Number:
MFCD03407393
IUPAC Name:
5-amino-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H6F2N4/c11-7-1-2-9(8(12)3-7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
InChI Key:
UHDLKGNUBWFTBK-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccc(cc1F)F
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.183g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties