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Home > Fluorides > 1240948-77-9
1240948-77-9 | 1H-Pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-
CAS No: 1240948-77-9 Catalog No: AG000LJV MDL No:MFCD24619247
Product Description
Catalog Number:
AG000LJV
Chemical Name:
1H-Pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-
CAS Number:
1240948-77-9
Molecular Formula:
C11H7FN2
Molecular Weight:
186.1851
MDL Number:
MFCD24619247
IUPAC Name:
5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H
InChI Key:
ZDEFHFJZEDEKJO-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(c1)c1ccccc1F
EC Number:
809-912-0
Properties
Complexity:
245
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.189g/mol
Monoisotopic Mass:
186.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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