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117408-90-9 | Naphthalene, 1,2-dihydro-3-iodo-4-phenyl-
CAS No: 117408-90-9 Catalog No: AG000EA0 MDL No:
Product Description
Catalog Number:
AG000EA0
Chemical Name:
Naphthalene, 1,2-dihydro-3-iodo-4-phenyl-
CAS Number:
117408-90-9
Molecular Formula:
C16H13I
Molecular Weight:
332.1789
IUPAC Name:
3-iodo-4-phenyl-1,2-dihydronaphthalene
InChI:
InChI=1S/C16H13I/c17-15-11-10-12-6-4-5-9-14(12)16(15)13-7-2-1-3-8-13/h1-9H,10-11H2
InChI Key:
ZDJFRKKPPVLIGG-UHFFFAOYSA-N
SMILES:
IC1=C(c2ccccc2)c2c(CC1)cccc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.184g/mol
Monoisotopic Mass:
332.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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