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89372-31-6 | 1H-Imidazole, 1-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]carbonyl]-
CAS No: 89372-31-6 Catalog No: AG003XKF MDL No:
Product Description
Catalog Number:
AG003XKF
Chemical Name:
1H-Imidazole, 1-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]carbonyl]-
CAS Number:
89372-31-6
Molecular Formula:
C15H14ClFN2O
Molecular Weight:
292.7359
IUPAC Name:
[1-(2-chloro-4-fluorophenyl)cyclopentyl]-imidazol-1-ylmethanone
InChI:
InChI=1S/C15H14ClFN2O/c16-13-9-11(17)3-4-12(13)15(5-1-2-6-15)14(20)19-8-7-18-10-19/h3-4,7-10H,1-2,5-6H2
InChI Key:
PUCOPHQMPCWTPG-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)C1(CCCC1)C(=O)n1cncc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.738g/mol
Monoisotopic Mass:
292.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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