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172368-00-2 | 1,3-Dibromo-5-(1,1-dimethylethyl)-2-iodobenzene
CAS No: 172368-00-2 Catalog No: AG01EUD2 MDL No:MFCD09878147
Product Description
Catalog Number:
AG01EUD2
Chemical Name:
1,3-Dibromo-5-(1,1-dimethylethyl)-2-iodobenzene
CAS Number:
172368-00-2
Molecular Formula:
C10H11Br2I
Molecular Weight:
417.9068
MDL Number:
MFCD09878147
IUPAC Name:
1,3-dibromo-5-tert-butyl-2-iodobenzene
InChI:
InChI=1S/C10H11Br2I/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,1-3H3
InChI Key:
CYKKRWMEGQTKIG-UHFFFAOYSA-N
SMILES:
Ic1c(Br)cc(cc1Br)C(C)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.825g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.91g/mol
Monoisotopic Mass:
415.827g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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