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89736-71-0 | 2,5-Pyrrolidinedione, 1-[1-(chloromethyl)heptyl]-
CAS No: 89736-71-0 Catalog No: AG004127 MDL No:
Product Description
Catalog Number:
AG004127
Chemical Name:
2,5-Pyrrolidinedione, 1-[1-(chloromethyl)heptyl]-
CAS Number:
89736-71-0
Molecular Formula:
C12H20ClNO2
Molecular Weight:
245.7457
IUPAC Name:
1-(1-chlorooctan-2-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H20ClNO2/c1-2-3-4-5-6-10(9-13)14-11(15)7-8-12(14)16/h10H,2-9H2,1H3
InChI Key:
LERHANGPIXSWPG-UHFFFAOYSA-N
SMILES:
CCCCCCC(N1C(=O)CCC1=O)CCl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.747g/mol
Monoisotopic Mass:
245.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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