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832744-31-7 | Benzene, 1-iodo-2-[(3-iodophenyl)ethynyl]-
CAS No: 832744-31-7 Catalog No: AG004T2X MDL No:
Product Description
Catalog Number:
AG004T2X
Chemical Name:
Benzene, 1-iodo-2-[(3-iodophenyl)ethynyl]-
CAS Number:
832744-31-7
Molecular Formula:
C14H8I2
Molecular Weight:
430.0223
IUPAC Name:
1-iodo-2-[2-(3-iodophenyl)ethynyl]benzene
InChI:
InChI=1S/C14H8I2/c15-13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)16/h1-7,10H
InChI Key:
BPMLLAATQWSJIG-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C#Cc1ccccc1I
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.872g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.027g/mol
Monoisotopic Mass:
429.872g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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