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Home > Bromides > 1197239-47-6
1197239-47-6 | Phenol, 3-bromo-5-(trifluoromethoxy)-
CAS No: 1197239-47-6 Catalog No: AG000PK5 MDL No:MFCD15142929
Product Description
Catalog Number:
AG000PK5
Chemical Name:
Phenol, 3-bromo-5-(trifluoromethoxy)-
CAS Number:
1197239-47-6
Molecular Formula:
C7H4BrF3O2
Molecular Weight:
257.0047
MDL Number:
MFCD15142929
IUPAC Name:
3-bromo-5-(trifluoromethoxy)phenol
InChI:
InChI=1S/C7H4BrF3O2/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3,12H
InChI Key:
LWPUQZXDLKIRAX-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)Br)OC(F)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.006g/mol
Monoisotopic Mass:
255.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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