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Home > Fluorides > 1269293-51-7
1269293-51-7 | 1H-Pyrazole-4-carbonitrile, 5-fluoro-1-phenyl-
CAS No: 1269293-51-7 Catalog No: AG000WD8 MDL No:MFCD17168484
Product Description
Catalog Number:
AG000WD8
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-fluoro-1-phenyl-
CAS Number:
1269293-51-7
Molecular Formula:
C10H6FN3
Molecular Weight:
187.1731
MDL Number:
MFCD17168484
IUPAC Name:
5-fluoro-1-phenylpyrazole-4-carbonitrile
InChI:
InChI=1S/C10H6FN3/c11-10-8(6-12)7-13-14(10)9-4-2-1-3-5-9/h1-5,7H
InChI Key:
DBWZGQHRUFGSRL-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1F)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.177g/mol
Monoisotopic Mass:
187.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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