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Home > Fluorides > 1269292-60-5
1269292-60-5 | 1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(3-fluorophenyl)-
CAS No: 1269292-60-5 Catalog No: AG000TKH MDL No:MFCD17168500
Product Description
Catalog Number:
AG000TKH
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(3-fluorophenyl)-
CAS Number:
1269292-60-5
Molecular Formula:
C10H5F2N3
Molecular Weight:
205.1636
MDL Number:
MFCD17168500
IUPAC Name:
5-fluoro-1-(3-fluorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H5F2N3/c11-8-2-1-3-9(4-8)15-10(12)7(5-13)6-14-15/h1-4,6H
InChI Key:
LBRNYTVRYUWCDC-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1F)c1cccc(c1)F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.168g/mol
Monoisotopic Mass:
205.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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