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Home > Bromides > 1261669-52-6
1261669-52-6 | Benzene, 2-bromo-5-methoxy-1,3-bis(trifluoromethyl)-
CAS No: 1261669-52-6 Catalog No: AG000RXM MDL No:MFCD18390183
Product Description
Catalog Number:
AG000RXM
Chemical Name:
Benzene, 2-bromo-5-methoxy-1,3-bis(trifluoromethyl)-
CAS Number:
1261669-52-6
Molecular Formula:
C9H5BrF6O
Molecular Weight:
323.0298
MDL Number:
MFCD18390183
IUPAC Name:
2-bromo-5-methoxy-1,3-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5BrF6O/c1-17-4-2-5(8(11,12)13)7(10)6(3-4)9(14,15)16/h2-3H,1H3
InChI Key:
XKNXVRHDVZGFOC-UHFFFAOYSA-N
SMILES:
COc1cc(c(c(c1)C(F)(F)F)Br)C(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.943g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.032g/mol
Monoisotopic Mass:
321.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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