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138976-63-3 | Propanedinitrile, 2-iodo-2-methyl-
CAS No: 138976-63-3 Catalog No: AG0019YZ MDL No:
Product Description
Catalog Number:
AG0019YZ
Chemical Name:
Propanedinitrile, 2-iodo-2-methyl-
CAS Number:
138976-63-3
Molecular Formula:
C4H3IN2
Molecular Weight:
205.9845
IUPAC Name:
2-(iodomethyl)propanedinitrile
InChI:
InChI=1S/C4H3IN2/c5-1-4(2-6)3-7/h4H,1H2
InChI Key:
XLUDDFFJUTWMFY-UHFFFAOYSA-N
SMILES:
N#CC(C#N)(I)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.934g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.986g/mol
Monoisotopic Mass:
205.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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