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2100-20-1 | Benzene, 2-iodo-1,4-bis(1-methylethyl)-
CAS No: 2100-20-1 Catalog No: AG002KJF MDL No:
Product Description
Catalog Number:
AG002KJF
Chemical Name:
Benzene, 2-iodo-1,4-bis(1-methylethyl)-
CAS Number:
2100-20-1
Molecular Formula:
C12H17I
Molecular Weight:
288.1678
IUPAC Name:
1-iodo-2,4-di(propan-2-yl)benzene
InChI:
InChI=1S/C12H17I/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9H,1-4H3
InChI Key:
FOQSTELRKYHMFD-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)I)C(C)C)C
Properties
Complexity:
151
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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