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Home > Bromides > 1365988-44-8
1365988-44-8 | 5-Bromo-2-iodo-tert-butylbenzene
CAS No: 1365988-44-8 Catalog No: AG01FEO5 MDL No:MFCD21602100
Product Description
Catalog Number:
AG01FEO5
Chemical Name:
5-Bromo-2-iodo-tert-butylbenzene
CAS Number:
1365988-44-8
Molecular Formula:
C10H12BrI
Molecular Weight:
339.0107
MDL Number:
MFCD21602100
IUPAC Name:
4-bromo-2-tert-butyl-1-iodobenzene
InChI:
InChI=1S/C10H12BrI/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChI Key:
JBPXSNMLRUWXHK-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(C)(C)C)I
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.917g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.014g/mol
Monoisotopic Mass:
337.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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