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132813-14-0 | Cycloocta[b]pyridine, 2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
CAS No: 132813-14-0 Catalog No: AG00117P MDL No:MFCD09955376
Product Description
Catalog Number:
AG00117P
Chemical Name:
Cycloocta[b]pyridine, 2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
CAS Number:
132813-14-0
Molecular Formula:
C17H17ClFN
Molecular Weight:
289.7750
MDL Number:
MFCD09955376
IUPAC Name:
2-chloro-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
InChI:
InChI=1S/C17H17ClFN/c18-17-11-15(12-7-9-13(19)10-8-12)14-5-3-1-2-4-6-16(14)20-17/h7-11H,1-6H2
InChI Key:
PWYYKWZKLRXRSM-UHFFFAOYSA-N
SMILES:
Clc1nc2CCCCCCc2c(c1)c1ccc(cc1)F
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.778g/mol
Monoisotopic Mass:
289.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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