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Home > Bromides > 1160574-64-0
1160574-64-0 | Methyl 3-Bromo-5-fluoro-4-iodobenzoate
CAS No: 1160574-64-0 Catalog No: AG01FCJ3 MDL No:MFCD11846087
Product Description
Catalog Number:
AG01FCJ3
Chemical Name:
Methyl 3-Bromo-5-fluoro-4-iodobenzoate
CAS Number:
1160574-64-0
Molecular Formula:
C8H5BrFIO2
Molecular Weight:
358.9310
MDL Number:
MFCD11846087
IUPAC Name:
methyl 3-bromo-5-fluoro-4-iodobenzoate
InChI:
InChI=1S/C8H5BrFIO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChI Key:
MDCHLIXOERVCBD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)Br)I
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.85g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.933g/mol
Monoisotopic Mass:
357.85g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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