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853771-88-7 | 4-Bromo-2-(trifluoromethoxy);anisole
CAS No: 853771-88-7 Catalog No: AG004OXM MDL No:MFCD09907950
Product Description
Catalog Number:
AG004OXM
Chemical Name:
4-Bromo-2-(trifluoromethoxy);anisole
CAS Number:
853771-88-7
Molecular Formula:
C8H6BrF3O2
Molecular Weight:
271.0312
MDL Number:
MFCD09907950
IUPAC Name:
4-bromo-1-methoxy-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6BrF3O2/c1-13-6-3-2-5(9)4-7(6)14-8(10,11)12/h2-4H,1H3
InChI Key:
QVGIROOBNUFIKC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC(F)(F)F)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.95g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.033g/mol
Monoisotopic Mass:
269.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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