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Home > Fluorides > 148901-51-3
148901-51-3 | Benzonitrile, 2-fluoro-6-(1H-pyrrol-1-yl)-
CAS No: 148901-51-3 Catalog No: AG001L9Y MDL No:MFCD00052222
Product Description
Catalog Number:
AG001L9Y
Chemical Name:
Benzonitrile, 2-fluoro-6-(1H-pyrrol-1-yl)-
CAS Number:
148901-51-3
Molecular Formula:
C11H7FN2
Molecular Weight:
186.1851
MDL Number:
MFCD00052222
IUPAC Name:
2-fluoro-6-pyrrol-1-ylbenzonitrile
InChI:
InChI=1S/C11H7FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h1-7H
InChI Key:
NPZSWZGYPPDMFS-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1n1cccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.189g/mol
Monoisotopic Mass:
186.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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