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Home > Fluorides > 1269291-01-1
1269291-01-1 | 1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(2-pyrimidinyl)-
CAS No: 1269291-01-1 Catalog No: AG000THB MDL No:MFCD17168524
Product Description
Catalog Number:
AG000THB
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-fluoro-1-(2-pyrimidinyl)-
CAS Number:
1269291-01-1
Molecular Formula:
C8H4FN5
Molecular Weight:
189.1493
MDL Number:
MFCD17168524
IUPAC Name:
5-fluoro-1-pyrimidin-2-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H4FN5/c9-7-6(4-10)5-13-14(7)8-11-2-1-3-12-8/h1-3,5H
InChI Key:
KVDTTXDLEDLGDS-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1F)c1ncccn1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.153g/mol
Monoisotopic Mass:
189.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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