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89736-64-1 | 2-Pyrrolidinone, 1-(2-chlorooctyl)-
CAS No: 89736-64-1 Catalog No: AG004129 MDL No:
Product Description
Catalog Number:
AG004129
Chemical Name:
2-Pyrrolidinone, 1-(2-chlorooctyl)-
CAS Number:
89736-64-1
Molecular Formula:
C12H22ClNO
Molecular Weight:
231.7622
IUPAC Name:
1-(2-chlorooctyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H22ClNO/c1-2-3-4-5-7-11(13)10-14-9-6-8-12(14)15/h11H,2-10H2,1H3
InChI Key:
SVJITXHVMIGDQB-UHFFFAOYSA-N
SMILES:
CCCCCCC(CN1CCCC1=O)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.139g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.764g/mol
Monoisotopic Mass:
231.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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