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101349-61-5 | Naphthalene, 1-(2-iodo-1-methylethyl)-
CAS No: 101349-61-5 Catalog No: AG00049X MDL No:
Product Description
Catalog Number:
AG00049X
Chemical Name:
Naphthalene, 1-(2-iodo-1-methylethyl)-
CAS Number:
101349-61-5
Molecular Formula:
C13H13I
Molecular Weight:
296.1468
IUPAC Name:
1-(1-iodopropan-2-yl)naphthalene
InChI:
InChI=1S/C13H13I/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3
InChI Key:
XWQQUFRKYAPAKV-UHFFFAOYSA-N
SMILES:
ICC(c1cccc2c1cccc2)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.151g/mol
Monoisotopic Mass:
296.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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