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918959-11-2 | Benzonitrile, 4-(3-iodo-1-propen-1-yl)-
CAS No: 918959-11-2 Catalog No: AG006LQS MDL No:
Product Description
Catalog Number:
AG006LQS
Chemical Name:
Benzonitrile, 4-(3-iodo-1-propen-1-yl)-
CAS Number:
918959-11-2
Molecular Formula:
C10H8IN
Molecular Weight:
269.0817
IUPAC Name:
4-(3-iodoprop-1-enyl)benzonitrile
InChI:
InChI=1S/C10H8IN/c11-7-1-2-9-3-5-10(8-12)6-4-9/h1-6H,7H2
InChI Key:
KXTROGZCAWNOGO-UHFFFAOYSA-N
SMILES:
ICC=Cc1ccc(cc1)C#N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.085g/mol
Monoisotopic Mass:
268.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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