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1283090-94-7 | Spiro[furo[3,4-c]pyridine-3(1H),4'-piperidine], 6-chloro-7-fluoro-1'-(phenylmethyl)-
CAS No: 1283090-94-7 Catalog No: AG000XYD MDL No:
Product Description
Catalog Number:
AG000XYD
Chemical Name:
Spiro[furo[3,4-c]pyridine-3(1H),4'-piperidine], 6-chloro-7-fluoro-1'-(phenylmethyl)-
CAS Number:
1283090-94-7
Molecular Formula:
C18H18ClFN2O
Molecular Weight:
332.7997
IUPAC Name:
1'-benzyl-6-chloro-7-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
InChI:
InChI=1S/C18H18ClFN2O/c19-17-16(20)14-12-23-18(15(14)10-21-17)6-8-22(9-7-18)11-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2
InChI Key:
PETBKWFABRXPIR-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1F)COC12CCN(CC1)Cc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.803g/mol
Monoisotopic Mass:
332.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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