Home Halogens 1,5-dibromo-2-methoxy-3-(trifluoromethyl)benzene

1,5-dibromo-2-methoxy-3-(trifluoromethyl)benzene

CAS No.:
1124144-68-8
Catalog Number:
AG01EIN3
Molecular Formula:
C8H5Br2F3O
Molecular Weight:
333.9279
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Product Description
Catalog Number:
AG01EIN3
Chemical Name:
1,5-dibromo-2-methoxy-3-(trifluoromethyl)benzene
CAS Number:
1124144-68-8
Molecular Formula:
C8H5Br2F3O
Molecular Weight:
333.9279
MDL Number:
MFCD31617585
IUPAC Name:
1,5-dibromo-2-methoxy-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Br2F3O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3
InChI Key:
OBLAOVLYRYJLOW-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1C(F)(F)F)Br
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.864g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.93g/mol
Monoisotopic Mass:
331.866g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties