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1240948-72-4 | 1H-Pyrrole-3-carbonitrile, 2-chloro-5-(2-fluorophenyl)-
CAS No: 1240948-72-4 Catalog No: AG000LJW MDL No:
Product Description
Catalog Number:
AG000LJW
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-chloro-5-(2-fluorophenyl)-
CAS Number:
1240948-72-4
Molecular Formula:
C11H6ClFN2
Molecular Weight:
220.6301
IUPAC Name:
2-chloro-5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H6ClFN2/c12-11-7(6-14)5-10(15-11)8-3-1-2-4-9(8)13/h1-5,15H
InChI Key:
YTRFYXSOSNPMDK-UHFFFAOYSA-N
SMILES:
N#Cc1cc([nH]c1Cl)c1ccccc1F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.631g/mol
Monoisotopic Mass:
220.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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