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1020057-82-2 | 1H-Pyrazole-3-carbonitrile, 5-amino-1-[4-(trifluoromethyl)phenyl]-
CAS No: 1020057-82-2 Catalog No: AG0006AG MDL No:
Product Description
Catalog Number:
AG0006AG
Chemical Name:
1H-Pyrazole-3-carbonitrile, 5-amino-1-[4-(trifluoromethyl)phenyl]-
CAS Number:
1020057-82-2
Molecular Formula:
C11H7F3N4
Molecular Weight:
252.1953
IUPAC Name:
5-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
InChI:
InChI=1S/C11H7F3N4/c12-11(13,14)7-1-3-9(4-2-7)18-10(16)5-8(6-15)17-18/h1-5H,16H2
InChI Key:
ACLSGDHCGNTOPL-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c(c1)N)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.2g/mol
Monoisotopic Mass:
252.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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