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175278-12-3 | Benzene, 4-bromo-1-iodo-2-(trifluoromethoxy)-
CAS No: 175278-12-3 Catalog No: AG0020TJ MDL No:MFCD00179334
Product Description
Catalog Number:
AG0020TJ
Chemical Name:
Benzene, 4-bromo-1-iodo-2-(trifluoromethoxy)-
CAS Number:
175278-12-3
Molecular Formula:
C7H3BrF3IO
Molecular Weight:
366.9018
MDL Number:
MFCD00179334
IUPAC Name:
4-bromo-1-iodo-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3BrF3IO/c8-4-1-2-5(12)6(3-4)13-7(9,10)11/h1-3H
InChI Key:
IGWVTCXEZVURNB-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(Br)ccc1I)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.836g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.904g/mol
Monoisotopic Mass:
365.836g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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