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828265-97-0 | 1,4-Dioxa-8-azaspiro[4.5]decane, 8-(3-chloro-2-pyridinyl)-
CAS No: 828265-97-0 Catalog No: AG004SYI MDL No:
Product Description
Catalog Number:
AG004SYI
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane, 8-(3-chloro-2-pyridinyl)-
CAS Number:
828265-97-0
Molecular Formula:
C12H15ClN2O2
Molecular Weight:
254.7127
IUPAC Name:
8-(3-chloropyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
InChI:
InChI=1S/C12H15ClN2O2/c13-10-2-1-5-14-11(10)15-6-3-12(4-7-15)16-8-9-17-12/h1-2,5H,3-4,6-9H2
InChI Key:
ZUQONCDGBZESSF-UHFFFAOYSA-N
SMILES:
Clc1cccnc1N1CCC2(CC1)OCCO2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.714g/mol
Monoisotopic Mass:
254.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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