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Home > Bromides > 1224604-21-0
1224604-21-0 | Benzene, 5-bromo-1-fluoro-2-methoxy-3-(trifluoromethyl)-
CAS No: 1224604-21-0 Catalog No: AG0017A4 MDL No:MFCD16295241
Product Description
Catalog Number:
AG0017A4
Chemical Name:
Benzene, 5-bromo-1-fluoro-2-methoxy-3-(trifluoromethyl)-
CAS Number:
1224604-21-0
Molecular Formula:
C8H5BrF4O
Molecular Weight:
273.0223
MDL Number:
MFCD16295241
IUPAC Name:
5-bromo-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5BrF4O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3
InChI Key:
JYIJZSRKYHZZBO-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(cc1C(F)(F)F)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.946g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.025g/mol
Monoisotopic Mass:
271.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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