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7496-25-5 | 2-(3-IODOPHENYL)-3-PHENYLACRYLONITRILE
CAS No: 7496-25-5 Catalog No: AG005FYX MDL No:
Product Description
Catalog Number:
AG005FYX
Chemical Name:
2-(3-IODOPHENYL)-3-PHENYLACRYLONITRILE
CAS Number:
7496-25-5
Molecular Formula:
C15H10IN
Molecular Weight:
331.1511
IUPAC Name:
(Z)-2-(3-iodophenyl)-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C15H10IN/c16-15-8-4-7-13(10-15)14(11-17)9-12-5-2-1-3-6-12/h1-10H/b14-9+
InChI Key:
BGCGZTNSYWRQMS-NTEUORMPSA-N
SMILES:
N#CC(=Cc1ccccc1)c1cccc(c1)I
NSC Number:
405113
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
330.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.156g/mol
Monoisotopic Mass:
330.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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