POLYMER MAINLY COMPOSED OF VINYL FLUORIDE

/static/temp/default.svg Search structure
Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID90276732

Structure

InChI Key STPYLHPYPGPHRI-PFTBPTPCSA-L
Smiles [Br-].[Br-].CCCC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
InChI
InChI=1S/C39H68N2O4.2BrH/c1-7-15-35(42)44-34-25-28-17-18-29-30(39(28,4)27-33(34)41(6)23-13-10-14-24-41)19-20-38(3)31(29)26-32(37(38)45-36(43)16-8-2)40(5)21-11-9-12-22-40;;/h28-34,37H,7-27H2,1-6H3;2*1H/q+2;;/p-2/t28-,29+,30-,31-,32-,33-,34-,37-,38-,39-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H68Br2N2O4
Molecular Weight 786.35
AlogP 1.68
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 52.6
Heavy Atoms 47.0

Cross References

Resources Reference
CAS NUMBER 95508-16-0
NORMAN SUSDAT
PubChem 194505
CONTENTS