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89611-28-9 | 1-Cyclohexene-1-carboxamide, N-(4-bromo-2-fluorophenyl)-2-cyano-
CAS No: 89611-28-9 Catalog No: AG003YPN MDL No:
Product Description
Catalog Number:
AG003YPN
Chemical Name:
1-Cyclohexene-1-carboxamide, N-(4-bromo-2-fluorophenyl)-2-cyano-
CAS Number:
89611-28-9
Molecular Formula:
C14H12BrFN2O
Molecular Weight:
323.1603
IUPAC Name:
N-(4-bromo-2-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
InChI:
InChI=1S/C14H12BrFN2O/c15-10-5-6-13(12(16)7-10)18-14(19)11-4-2-1-3-9(11)8-17/h5-7H,1-4H2,(H,18,19)
InChI Key:
DDIRZPAGOJKAOO-UHFFFAOYSA-N
SMILES:
N#CC1=C(CCCC1)C(=O)Nc1ccc(cc1F)Br
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.165g/mol
Monoisotopic Mass:
322.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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