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Home > Bromides > 1349716-22-8
1349716-22-8 | 5-Bromo-2-fluorotoluene (Methyl D3)
CAS No: 1349716-22-8 Catalog No: AG01FDVP MDL No:MFCD20233382
Product Description
Catalog Number:
AG01FDVP
Chemical Name:
5-Bromo-2-fluorotoluene (Methyl D3)
CAS Number:
1349716-22-8
Molecular Formula:
C7H3BrD3F
Molecular Weight:
192.0434
MDL Number:
MFCD20233382
IUPAC Name:
4-bromo-1-fluoro-2-(trideuteriomethyl)benzene
InChI:
InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3/i1D3
InChI Key:
VXKYOKPNAXNAFU-FIBGUPNXSA-N
SMILES:
Brc1ccc(c(c1)C([2H])([2H])[2H])F
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:
190.983g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
192.046g/mol
Monoisotopic Mass:
190.983g/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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