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116632-39-4 | Benzene, 4-bromo-1-iodo-2-methyl-
CAS No: 116632-39-4 Catalog No: AG000CX6 MDL No:MFCD00060664
Product Description
Catalog Number:
AG000CX6
Chemical Name:
Benzene, 4-bromo-1-iodo-2-methyl-
CAS Number:
116632-39-4
Molecular Formula:
C7H6BrI
Molecular Weight:
296.9310
MDL Number:
MFCD00060664
IUPAC Name:
4-bromo-1-iodo-2-methylbenzene
InChI:
InChI=1S/C7H6BrI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChI Key:
GHTUADBHTFHMNI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)I
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.87g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.933g/mol
Monoisotopic Mass:
295.87g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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