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98611-00-8 | 1-(4-Iodophenyl)adamantane
CAS No: 98611-00-8 Catalog No: AG0067DH MDL No:MFCD23135440
Product Description
Catalog Number:
AG0067DH
Chemical Name:
1-(4-Iodophenyl)adamantane
CAS Number:
98611-00-8
Molecular Formula:
C16H19I
Molecular Weight:
338.2265
MDL Number:
MFCD23135440
IUPAC Name:
1-(4-iodophenyl)adamantane
InChI:
InChI=1S/C16H19I/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2
InChI Key:
DMMVHLXCUOFVFH-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.232g/mol
Monoisotopic Mass:
338.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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