Home Nitriles 2-fluoro-6-(1H-pyrazol-1-yl)benzonitrile

2-fluoro-6-(1H-pyrazol-1-yl)benzonitrile

CAS No.:
1267462-38-3
Catalog Number:
AG019SUQ
Molecular Formula:
C10H6FN3
Molecular Weight:
187.1731
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Product Description
Catalog Number:
AG019SUQ
Chemical Name:
2-fluoro-6-(1H-pyrazol-1-yl)benzonitrile
CAS Number:
1267462-38-3
Molecular Formula:
C10H6FN3
Molecular Weight:
187.1731
MDL Number:
MFCD17267861
IUPAC Name:
2-fluoro-6-pyrazol-1-ylbenzonitrile
InChI:
InChI=1S/C10H6FN3/c11-9-3-1-4-10(8(9)7-12)14-6-2-5-13-14/h1-6H
InChI Key:
KNFPQQIDCFANMW-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1n1cccn1
Properties
Complexity:
247  
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:
1.7  
Properties