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1000576-09-9 | 3-Bromo-5-fluoro-4-iodotoluene
CAS No: 1000576-09-9 Catalog No: AG01FEZ2 MDL No:MFCD09800758
Product Description
Catalog Number:
AG01FEZ2
Chemical Name:
3-Bromo-5-fluoro-4-iodotoluene
CAS Number:
1000576-09-9
Molecular Formula:
C7H5BrFI
Molecular Weight:
314.9215
MDL Number:
MFCD09800758
IUPAC Name:
1-bromo-3-fluoro-2-iodo-5-methylbenzene
InChI:
InChI=1S/C7H5BrFI/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChI Key:
ZAPXFWWYNQUHFD-UHFFFAOYSA-N
SMILES:
Cc1cc(F)c(c(c1)Br)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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