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677777-56-9 | 2-Bromo-4-fluoro-5-iodotoluene
CAS No: 677777-56-9 Catalog No: AG01EWW4 MDL No:MFCD09800683
Product Description
Catalog Number:
AG01EWW4
Chemical Name:
2-Bromo-4-fluoro-5-iodotoluene
CAS Number:
677777-56-9
Molecular Formula:
C7H5BrFI
Molecular Weight:
314.9215
MDL Number:
MFCD09800683
IUPAC Name:
1-bromo-5-fluoro-4-iodo-2-methylbenzene
InChI:
InChI=1S/C7H5BrFI/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3
InChI Key:
ISLHUHGOROORJE-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(cc1C)I
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.86g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.924g/mol
Monoisotopic Mass:
313.86g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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