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130575-06-3 | Propanedinitrile, 2-iodo-2-(2-propyn-1-yl)-
CAS No: 130575-06-3 Catalog No: AG000UNU MDL No:
Product Description
Catalog Number:
AG000UNU
Chemical Name:
Propanedinitrile, 2-iodo-2-(2-propyn-1-yl)-
CAS Number:
130575-06-3
Molecular Formula:
C6H3IN2
Molecular Weight:
230.0059
IUPAC Name:
2-iodo-2-prop-1-ynylpropanedinitrile
InChI:
InChI=1S/C6H3IN2/c1-2-3-6(7,4-8)5-9/h1H3
InChI Key:
VJULOAJFJMINCY-UHFFFAOYSA-N
SMILES:
C#CCC(C#N)(C#N)I
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.934g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.008g/mol
Monoisotopic Mass:
229.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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