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Home > Fluorides > 132812-72-7
132812-72-7 | Cycloocta[b]pyridin-2(1H)-one, 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
CAS No: 132812-72-7 Catalog No: AG00117Q MDL No:MFCD09955377
Product Description
Catalog Number:
AG00117Q
Chemical Name:
Cycloocta[b]pyridin-2(1H)-one, 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
CAS Number:
132812-72-7
Molecular Formula:
C17H18FNO
Molecular Weight:
271.3293
MDL Number:
MFCD09955377
IUPAC Name:
4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
InChI:
InChI=1S/C17H18FNO/c18-13-9-7-12(8-10-13)15-11-17(20)19-16-6-4-2-1-3-5-14(15)16/h7-11H,1-6H2,(H,19,20)
InChI Key:
NHKNCECTTVQJJR-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc(=O)[nH]c2c1CCCCCC2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.335g/mol
Monoisotopic Mass:
271.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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