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87624-02-0 | 2(1H)-Quinolinone, 3,3-dichlorooctahydro-, cis-
CAS No: 87624-02-0 Catalog No: AG004LQ5 MDL No:
Product Description
Catalog Number:
AG004LQ5
Chemical Name:
2(1H)-Quinolinone, 3,3-dichlorooctahydro-, cis-
CAS Number:
87624-02-0
Molecular Formula:
C9H13Cl2NO
Molecular Weight:
222.1116
IUPAC Name:
(4aS,8aS)-3,3-dichloro-1,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
InChI:
InChI=1S/C9H13Cl2NO/c10-9(11)5-6-3-1-2-4-7(6)12-8(9)13/h6-7H,1-5H2,(H,12,13)/t6-,7-/m0/s1
InChI Key:
ICSQYGDMSMVESO-BQBZGAKWSA-N
SMILES:
O=C1N[C@H]2CCCC[C@H]2CC1(Cl)Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.109g/mol
Monoisotopic Mass:
221.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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