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Home > Bromides > 1224604-17-4
1224604-17-4 | Phenol, 4-bromo-2-fluoro-6-(trifluoromethyl)-
CAS No: 1224604-17-4 Catalog No: AG0017A8 MDL No:MFCD16295240
Product Description
Catalog Number:
AG0017A8
Chemical Name:
Phenol, 4-bromo-2-fluoro-6-(trifluoromethyl)-
CAS Number:
1224604-17-4
Molecular Formula:
C7H3BrF4O
Molecular Weight:
258.9957
MDL Number:
MFCD16295240
IUPAC Name:
4-bromo-2-fluoro-6-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H3BrF4O/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2,13H
InChI Key:
ASJWBFQGKNTKGX-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(c(c1)C(F)(F)F)O
Properties
Complexity:
184
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:
1
Isotope Atom Count:
0
Molecular Weight:
258.998g/mol
Monoisotopic Mass:
257.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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