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89611-32-5 | 1-Cyclohexene-1-carboxamide, N-(3-chloro-4-fluorophenyl)-2-cyano-
CAS No: 89611-32-5 Catalog No: AG003XF8 MDL No:
Product Description
Catalog Number:
AG003XF8
Chemical Name:
1-Cyclohexene-1-carboxamide, N-(3-chloro-4-fluorophenyl)-2-cyano-
CAS Number:
89611-32-5
Molecular Formula:
C14H12ClFN2O
Molecular Weight:
278.7093
IUPAC Name:
N-(3-chloro-4-fluorophenyl)-2-cyanocyclohexene-1-carboxamide
InChI:
InChI=1S/C14H12ClFN2O/c15-12-7-10(5-6-13(12)16)18-14(19)11-4-2-1-3-9(11)8-17/h5-7H,1-4H2,(H,18,19)
InChI Key:
ZLUKCIJUQCAULU-UHFFFAOYSA-N
SMILES:
N#CC1=C(CCCC1)C(=O)Nc1ccc(c(c1)Cl)F
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.711g/mol
Monoisotopic Mass:
278.062g/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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