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Home > Bromides > 1242258-31-6
1242258-31-6 | Benzene, 1-bromo-3-fluoro-2-(trifluoromethoxy)-
CAS No: 1242258-31-6 Catalog No: AG000LOO MDL No:MFCD22551455
Product Description
Catalog Number:
AG000LOO
Chemical Name:
Benzene, 1-bromo-3-fluoro-2-(trifluoromethoxy)-
CAS Number:
1242258-31-6
Molecular Formula:
C7H3BrF4O
Molecular Weight:
258.9957
MDL Number:
MFCD22551455
IUPAC Name:
1-bromo-3-fluoro-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3BrF4O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
InChI Key:
SXJCNJPOHMSPKM-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1OC(F)(F)F)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.93g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.998g/mol
Monoisotopic Mass:
257.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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