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163704-47-0 | Benzene, 2-iodo-1,3-bis(1-methylethyl)-
CAS No: 163704-47-0 Catalog No: AG001UBX MDL No:MFCD12547790
Product Description
Catalog Number:
AG001UBX
Chemical Name:
Benzene, 2-iodo-1,3-bis(1-methylethyl)-
CAS Number:
163704-47-0
Molecular Formula:
C12H17I
Molecular Weight:
288.1678
MDL Number:
MFCD12547790
IUPAC Name:
2-iodo-1,3-di(propan-2-yl)benzene
InChI:
InChI=1S/C12H17I/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChI Key:
AZYZPYVCTLOROS-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1I)C(C)C)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.172g/mol
Monoisotopic Mass:
288.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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