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1269293-12-0 | 1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(2-pyridinyl)-
CAS No: 1269293-12-0 Catalog No: AG000WDQ MDL No:MFCD17168529
Product Description
Catalog Number:
AG000WDQ
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(2-pyridinyl)-
CAS Number:
1269293-12-0
Molecular Formula:
C9H5FN4
Molecular Weight:
188.1612
MDL Number:
MFCD17168529
IUPAC Name:
5-fluoro-1-pyridin-2-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C9H5FN4/c10-9-7(5-11)6-13-14(9)8-3-1-2-4-12-8/h1-4,6H
InChI Key:
VIZUUVPDAMJYHL-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1F)c1ccccn1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.165g/mol
Monoisotopic Mass:
188.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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