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261951-95-5 | Benzene, 1-(bromomethyl)-2-methyl-4-(trifluoromethoxy)-
CAS No: 261951-95-5 Catalog No: AG002S68 MDL No:
Product Description
Catalog Number:
AG002S68
Chemical Name:
Benzene, 1-(bromomethyl)-2-methyl-4-(trifluoromethoxy)-
CAS Number:
261951-95-5
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
IUPAC Name:
1-(bromomethyl)-2-methyl-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C9H8BrF3O/c1-6-4-8(14-9(11,12)13)3-2-7(6)5-10/h2-4H,5H2,1H3
InChI Key:
DIVAXDGCLDCEEX-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C)OC(F)(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.061g/mol
Monoisotopic Mass:
267.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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