General Information

MaintermPOLY(ACRYLONITRILE-CO-VINYLIDENE CHLORIDE)
CAS Reg.No.(or other ID)9010-76-8
Regnum 175.105
175.320
176.170
176.180
175.360
175.365
177.1200
177.1630
179.45

From www.fda.gov

Computed Descriptors

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2D Structure
CID165728
IUPAC Name1,1-dichloroethene;prop-2-enenitrile
InChIInChI=1S/C3H3N.C2H2Cl2/c1-2-3-4;1-2(3)4/h2H,1H2;1H2
InChI KeyQLUXVUVEVXYICG-UHFFFAOYSA-N
Canonical SMILESC=CC#N.C=C(Cl)Cl
Molecular FormulaC5H5Cl2N

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight150.002
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Complexity81.9
CACTVS Substructure Key Fingerprint A A A D c Y B i A A A G A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H A I A A A A A C A K B A I A A A A A A A A C Q B C B C A A A g A A A A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area23.8
Monoisotopic Mass148.98
Exact Mass148.98
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem