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130575-07-4

130575-07-4 | Propanedinitrile, 2-iodo-2-(2-propen-1-yl)-

CAS No: 130575-07-4 Catalog No: AG000UNT MDL No:

Product Description

Catalog Number:
AG000UNT
Chemical Name:
Propanedinitrile, 2-iodo-2-(2-propen-1-yl)-
CAS Number:
130575-07-4
Molecular Formula:
C6H5IN2
Molecular Weight:
232.0218
IUPAC Name:
2-iodo-2-prop-1-enylpropanedinitrile
InChI:
InChI=1S/C6H5IN2/c1-2-3-6(7,4-8)5-9/h2-3H,1H3
InChI Key:
XVTLLHRMKDVIRU-UHFFFAOYSA-N
SMILES:
C=CCC(C#N)(C#N)I

Properties

Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.95g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.024g/mol
Monoisotopic Mass:
231.95g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  

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