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Home > Bromides > 1160573-42-1
1160573-42-1 | 2,4-Dibromo-6-fluoro-5-iodobenzoic acid
CAS No: 1160573-42-1 Catalog No: AG01FC6I MDL No:MFCD11845979
Product Description
Catalog Number:
AG01FC6I
Chemical Name:
2,4-Dibromo-6-fluoro-5-iodobenzoic acid
CAS Number:
1160573-42-1
Molecular Formula:
C7H2Br2FIO2
Molecular Weight:
423.8005
MDL Number:
MFCD11845979
IUPAC Name:
4,6-dibromo-2-fluoro-3-iodobenzoic acid
InChI:
InChI=1S/C7H2Br2FIO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,(H,12,13)
InChI Key:
FDTYJBUCCPXGEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)cc(c(c1F)I)Br
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.743g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.802g/mol
Monoisotopic Mass:
421.745g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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