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87624-28-0 | 2H-Cyclopenta[b]pyridin-2-one, 3,3-dichlorooctahydro-, trans-
CAS No: 87624-28-0 Catalog No: AG004HW8 MDL No:
Product Description
Catalog Number:
AG004HW8
Chemical Name:
2H-Cyclopenta[b]pyridin-2-one, 3,3-dichlorooctahydro-, trans-
CAS Number:
87624-28-0
Molecular Formula:
C8H11Cl2NO
Molecular Weight:
208.0850
IUPAC Name:
(4aS,7aR)-3,3-dichloro-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-2-one
InChI:
InChI=1S/C8H11Cl2NO/c9-8(10)4-5-2-1-3-6(5)11-7(8)12/h5-6H,1-4H2,(H,11,12)/t5-,6+/m0/s1
InChI Key:
WZKZVWZBRPIUFZ-NTSWFWBYSA-N
SMILES:
O=C1N[C@@H]2CCC[C@H]2CC1(Cl)Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.082g/mol
Monoisotopic Mass:
207.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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