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Home > Bromides > 1805939-17-6
1805939-17-6 | Phenol, 2-bromo-5-fluoro-4-(trifluoromethoxy)-
CAS No: 1805939-17-6 Catalog No: AG00224T MDL No:
Product Description
Catalog Number:
AG00224T
Chemical Name:
Phenol, 2-bromo-5-fluoro-4-(trifluoromethoxy)-
CAS Number:
1805939-17-6
Molecular Formula:
C7H3BrF4O2
Molecular Weight:
274.9951
IUPAC Name:
2-bromo-5-fluoro-4-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H3BrF4O2/c8-3-1-6(14-7(10,11)12)4(9)2-5(3)13/h1-2,13H
InChI Key:
WIWYPRVUVQBAQR-UHFFFAOYSA-N
SMILES:
Fc1cc(O)c(cc1OC(F)(F)F)Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.925g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.997g/mol
Monoisotopic Mass:
273.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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