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Home > Bromides > 1261667-41-7
1261667-41-7 | Benzene, 2-bromo-1-methoxy-3,5-bis(trifluoromethyl)-
CAS No: 1261667-41-7 Catalog No: AG000RXN MDL No:
Product Description
Catalog Number:
AG000RXN
Chemical Name:
Benzene, 2-bromo-1-methoxy-3,5-bis(trifluoromethyl)-
CAS Number:
1261667-41-7
Molecular Formula:
C9H5BrF6O
Molecular Weight:
323.0298
IUPAC Name:
2-bromo-1-methoxy-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5BrF6O/c1-17-6-3-4(8(11,12)13)2-5(7(6)10)9(14,15)16/h2-3H,1H3
InChI Key:
YXRADAZCEPPFKP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1Br)C(F)(F)F)C(F)(F)F
Properties
Complexity:
263
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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