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Home > Bromides > 1221793-61-8
1221793-61-8 | Benzene, 1-bromo-3-(1-methylethoxy)-5-(trifluoromethoxy)-
CAS No: 1221793-61-8 Catalog No: AG0016W2 MDL No:MFCD16036130
Product Description
Catalog Number:
AG0016W2
Chemical Name:
Benzene, 1-bromo-3-(1-methylethoxy)-5-(trifluoromethoxy)-
CAS Number:
1221793-61-8
Molecular Formula:
C10H10BrF3O2
Molecular Weight:
299.0844
MDL Number:
MFCD16036130
IUPAC Name:
1-bromo-3-propan-2-yloxy-5-(trifluoromethoxy)benzene
InChI:
InChI=1S/C10H10BrF3O2/c1-6(2)15-8-3-7(11)4-9(5-8)16-10(12,13)14/h3-6H,1-2H3
InChI Key:
BNLQWJWWOBHUGS-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(Br)cc(c1)OC(F)(F)F)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.087g/mol
Monoisotopic Mass:
297.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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